Optimization and normal modes#

In this section we will see how to visualize geometry optimization trajectories, as well as molecular vibration modes using py3Dmol.

Geometry optimization#

import veloxchem as vlx
import py3Dmol as p3d
from matplotlib import pyplot as plt
import numpy as np
import ipywidgets
from veloxchem.veloxchemlib import bohr_in_angstroms
import h5py
Hide code cell output
* Warning * Environment variable OMP_NUM_THREADS not set.
* Warning * Setting OMP_NUM_THREADS to 4.

Let’s assume we have run the geometry optimization and saved all the steps in xyz format in a file. To animate the optimization trajectory we first need a routine which reads the configurations from file.

def read_xyz_file(file_name):
    """Reads all the configurations from an xyz geometry optimization file."""
    xyz_file = open(file_name, "r")
    data = xyz_file.read()
    xyz_file.close()
    
    xyz_file = open(file_name, "r")
    i = 0
    steps = []
    energies = []
    for line in xyz_file:
        if "Energy" in line:
            steps.append(i)
            i += 1
            parts = line.split()
            energy = float(parts[-1])
            energies.append(energy)
    xyz_file.close()
    
    return data, steps, energies

Using this routine, we can plot the energies during optimization, as well as animate the trajectory.

xyz_file_name = '../../data/md/kahweol_optim.xyz'
xyz_data, steps, energies = read_xyz_file(xyz_file_name)

# Plot the energies
plt.figure(figsize=(7,4))
plt.plot(steps, energies,'o--')
plt.xlabel('Iteration')
plt.ylabel('Energy (H)')
plt.title("Kahweol XTB optimization")
plt.tight_layout(); plt.show()

# and animate the optimization
viewer = p3d.view(width=600, height=300)
viewer.addModelsAsFrames(xyz_data)
viewer.animate({"loop": "forward"})
# visualize with the stick option - can also consider spheres and more
viewer.setStyle({"stick": {}})
viewer.show()
../../_images/a47e1575832bb4a7590f973a7e241a62a339bb147e0d53a2a50bee04b79c41f1.png

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
jupyter labextension install jupyterlab_3dmol

If instead we would like to see each configuration individually, we can create an interactive widget with a slider. As in the previous section, we need a routine which reads an individual configuration at a time and returns the corresponding py3Dmol viewer.

def read_xyz_index(file_name, index=0):
    """Reads one configuration defined by its index from the xyz optimization file."""
    xyz_file = open(file_name, "r")
    current_index = 0
    data = ""

    # Read the number of atoms from the first line
    line = xyz_file.readline()
    natm = line.split()[0]
    data += line
    for line in xyz_file:
        if index == current_index:
            data += line
            if 'Energy' in line:
                parts = line.split()
                energy = float(parts[-1])
        if natm in line:
            parts = line.split()
            if len(parts) == 1:
                if index == current_index:
                    break
                current_index += 1
    xyz_file.close()
    return data, energy


def return_viewer(file_name, step=0):
    xyz_data_i, energy_i = read_xyz_index(file_name, step)
    
    # Uncomment if you would also like to see the energy plot
    # or comment out if you would like to skip this.
    plt.figure(figsize=(7,4))
    plt.plot(steps, energies, 'o--')
    plt.plot(step, energy_i, 'o', markersize=15)
    plt.xlabel('Iteration')
    plt.ylabel('Energy (H)')
    plt.title("Kahweol XTB optimization")
    plt.tight_layout(); plt.show()
    
    viewer = p3d.view(width=600, height=300)
    viewer.addModel(xyz_data_i)
    viewer.setStyle({"stick": {}})
    viewer.show()

Note that we show only a static image below.

total_steps = steps[-1] # number of configurations in the trajectory file
ipywidgets.interact(return_viewer, file_name=xyz_file_name,
                    step=ipywidgets.IntSlider(min=0, max=total_steps, step=1))
../../_images/kahweol_slider.png

Vibrational normal modes#

Now let’s see how to animate and visualize vibrational normal modes. For this, we will need to determine the molecular Hessian and perform a vibrational analysis. Let’s assume we have already carried out the Hessian calculation and we saved the result in a h5 checkpoint file. We will then start by reading the Hessian from file.

xtb_hessian_drv = vlx.XtbHessianDriver()

fname = '../../data/md/kahweol_xtb_hessian.h5'
hf = h5py.File(fname, "r")
xtb_hessian_drv.hessian = np.array(hf.get('kahweol_hessian')) 
xtb_hessian_drv.dipole_gradient = np.array(hf.get('kahweol_dipolegrad'))
hf.close()

In order to perform a vibrational analysis we need a Molecule object which stores the optimized geometry. To create the Molecule object we will read the last geometry from the xyz file we used in the previous subsection.

# read the last configuration from file
kahweol_xyz, opt_energy = read_xyz_index(file_name=xyz_file_name, index=total_steps)
# create the Mlecul object
xtb_opt_kahweol = vlx.Molecule.read_xyz_string(kahweol_xyz)
# perform vibrational analysis -- diagonalize Hessian, extract frequencies and normal modes
# and calculate IR intensities.
xtb_hessian_drv.vibrational_analysis(xtb_opt_kahweol)
Hide code cell output
                                                   Vibrational Analysis                                                   
                                                  ======================                                                  
                                                                                                                          
                                   Vibrational Mode      1                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  44.69  cm**-1                                     
                                   Reduced mass:                       4.8480  amu                                        
                                   Force constant:                     0.0057  mdyne/A                                    
                                   IR intensity:                       1.4733  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0064     -0.0452      0.0007                                   
                                   2       O             0.2051      0.2566      0.2331                                   
                                   3       O            -0.0411      0.0481      0.1018                                   
                                   4       C            -0.0021     -0.0344     -0.0574                                   
                                   5       C            -0.0149     -0.0290     -0.0615                                   
                                   6       C             0.0207     -0.0511     -0.0214                                   
                                   7       C             0.0288     -0.0421     -0.0460                                   
                                   8       C            -0.0208     -0.0454     -0.0309                                   
                                   9       C            -0.0165     -0.0166     -0.0613                                   
                                   10      C            -0.0031     -0.0486     -0.0059                                   
                                   11      C             0.0081     -0.0214     -0.0762                                   
                                   12      C            -0.0153     -0.0333     -0.0499                                   
                                   13      C            -0.0076     -0.0404     -0.0439                                   
                                   14      C             0.0031     -0.0111     -0.0421                                   
                                   15      C             0.0030     -0.0194     -0.0646                                   
                                   16      C            -0.0231     -0.0020     -0.0622                                   
                                   17      C            -0.0033     -0.0293      0.0340                                   
                                   18      C            -0.0219     -0.0199     -0.0744                                   
                                   19      C            -0.0134      0.0116      0.0143                                   
                                   20      C            -0.0215     -0.0031     -0.0386                                   
                                   21      C            -0.0238      0.0177      0.0195                                   
                                   22      C            -0.0252      0.0408      0.1012                                   
                                   23      C            -0.0421      0.0622      0.1511                                   
                                   24      H            -0.0200     -0.0270     -0.0620                                   
                                   25      H             0.0405     -0.0554     -0.0062                                   
                                   26      H             0.0425     -0.0374     -0.0606                                   
                                   27      H             0.0394     -0.0451     -0.0393                                   
                                   28      H            -0.0460     -0.0493     -0.0357                                   
                                   29      H            -0.0201     -0.0484     -0.0208                                   
                                   30      H             0.0135     -0.0016     -0.0763                                   
                                   31      H             0.0153     -0.0314     -0.0935                                   
                                   32      H            -0.0180     -0.0270     -0.0460                                   
                                   33      H            -0.0148     -0.0336     -0.0494                                   
                                   34      H            -0.0098     -0.0139     -0.0473                                   
                                   35      H            -0.0290     -0.0642     -0.0539                                   
                                   36      H             0.0394     -0.0091     -0.0426                                   
                                   37      H            -0.0081     -0.0318     -0.0655                                   
                                   38      H             0.0114     -0.0127     -0.0677                                   
                                   39      H            -0.0346      0.0590     -0.0651                                   
                                   40      H            -0.0705     -0.0355     -0.0621                                   
                                   41      H             0.0309     -0.0191     -0.0575                                   
                                   42      H            -0.2599     -0.1416      0.1614                                   
                                   43      H             0.0966     -0.1246     -0.2227                                   
                                   44      H            -0.0258     -0.0410     -0.1167                                   
                                   45      H             0.0311     -0.0642      0.0273                                   
                                   46      H            -0.0204     -0.0075     -0.0466                                   
                                   47      H            -0.0225      0.0459      0.1245                                   
                                   48      H             0.0690      0.3617      0.4350                                   
                                   49      H            -0.0555      0.0872      0.2196                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      2                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  50.43  cm**-1                                     
                                   Reduced mass:                       5.0832  amu                                        
                                   Force constant:                     0.0076  mdyne/A                                    
                                   IR intensity:                       1.2117  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0689     -0.0035     -0.0791                                   
                                   2       O             0.1581      0.2380     -0.0952                                   
                                   3       O             0.0115      0.0384     -0.1324                                   
                                   4       C            -0.0025     -0.0477      0.0751                                   
                                   5       C            -0.0142     -0.0400      0.0746                                   
                                   6       C            -0.0659     -0.0387     -0.0107                                   
                                   7       C            -0.0615     -0.0290      0.0519                                   
                                   8       C             0.0304     -0.0856      0.0260                                   
                                   9       C            -0.0178     -0.0169      0.0801                                   
                                   10      C            -0.0066     -0.0374     -0.0454                                   
                                   11      C             0.0225     -0.0455      0.1245                                   
                                   12      C            -0.0195     -0.0371      0.0533                                   
                                   13      C            -0.0746     -0.0353      0.0094                                   
                                   14      C            -0.0031     -0.0023      0.0646                                   
                                   15      C             0.0293     -0.0048      0.1063                                   
                                   16      C            -0.0272     -0.0332      0.0823                                   
                                   17      C             0.0788     -0.0112     -0.1196                                   
                                   18      C            -0.0497      0.0096      0.0953                                   
                                   19      C             0.0144      0.0190     -0.0104                                   
                                   20      C            -0.0527      0.0329      0.0502                                   
                                   21      C            -0.0139      0.0314     -0.0210                                   
                                   22      C             0.0622      0.0178     -0.1253                                   
                                   23      C             0.0581      0.0293     -0.1951                                   
                                   24      H            -0.0044     -0.0487      0.0757                                   
                                   25      H            -0.1059     -0.0398     -0.0417                                   
                                   26      H            -0.0951     -0.0098      0.0773                                   
                                   27      H            -0.0614     -0.0290      0.0527                                   
                                   28      H             0.0670     -0.1318     -0.0021                                   
                                   29      H             0.0399     -0.1006      0.0694                                   
                                   30      H             0.0164     -0.0865      0.1254                                   
                                   31      H             0.0384     -0.0417      0.1624                                   
                                   32      H             0.0275     -0.0161      0.0272                                   
                                   33      H            -0.0204     -0.0458      0.0943                                   
                                   34      H            -0.1181     -0.0227      0.0329                                   
                                   35      H            -0.0813     -0.0457     -0.0365                                   
                                   36      H            -0.0497     -0.0162      0.0654                                   
                                   37      H             0.0459      0.0181      0.1078                                   
                                   38      H             0.0390     -0.0018      0.1174                                   
                                   39      H            -0.0233     -0.0630      0.0914                                   
                                   40      H            -0.0094     -0.0205      0.0832                                   
                                   41      H            -0.0588     -0.0284      0.0717                                   
                                   42      H            -0.0207     -0.1036     -0.0500                                   
                                   43      H             0.1864     -0.0941     -0.2741                                   
                                   44      H            -0.0704      0.0151      0.1427                                   
                                   45      H            -0.1185      0.0247     -0.1164                                   
                                   46      H            -0.0816      0.0542      0.0574                                   
                                   47      H             0.0959      0.0087     -0.1537                                   
                                   48      H             0.0321      0.3293      0.0118                                   
                                   49      H             0.0848      0.0320     -0.2869                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      3                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  80.29  cm**-1                                     
                                   Reduced mass:                       3.6278  amu                                        
                                   Force constant:                     0.0138  mdyne/A                                    
                                   IR intensity:                       0.3443  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0918     -0.0904      0.0474                                   
                                   2       O             0.0163     -0.0262      0.1117                                   
                                   3       O             0.0282     -0.0636      0.0214                                   
                                   4       C             0.0042      0.0459     -0.0139                                   
                                   5       C             0.0149      0.0352     -0.0346                                   
                                   6       C            -0.0162      0.0664     -0.0569                                   
                                   7       C             0.0084      0.1001     -0.0088                                   
                                   8       C             0.0084      0.0172     -0.0232                                   
                                   9       C            -0.0033      0.0317      0.0258                                   
                                   10      C            -0.0075     -0.0383     -0.0178                                   
                                   11      C            -0.0080      0.0288      0.0193                                   
                                   12      C            -0.0176      0.0369     -0.1199                                   
                                   13      C            -0.0623      0.0822     -0.1462                                   
                                   14      C            -0.0086      0.0289      0.0191                                   
                                   15      C            -0.0101      0.0289      0.0183                                   
                                   16      C            -0.0452      0.0019      0.0346                                   
                                   17      C            -0.0986     -0.1294     -0.0184                                   
                                   18      C             0.0345      0.0449      0.0935                                   
                                   19      C            -0.0037     -0.0071      0.0064                                   
                                   20      C             0.0374      0.0299      0.1406                                   
                                   21      C             0.0168     -0.0076      0.0793                                   
                                   22      C            -0.0058     -0.0683     -0.1120                                   
                                   23      C             0.0143     -0.1005     -0.0962                                   
                                   24      H             0.0626      0.0028     -0.0292                                   
                                   25      H            -0.0092      0.1032     -0.0493                                   
                                   26      H             0.0016      0.1597     -0.0239                                   
                                   27      H             0.0339      0.0998      0.0434                                   
                                   28      H            -0.0092      0.0374     -0.0107                                   
                                   29      H             0.0448      0.0154     -0.0448                                   
                                   30      H            -0.0064      0.0024      0.0206                                   
                                   31      H            -0.0199      0.0422      0.0392                                   
                                   32      H             0.0087     -0.0146     -0.1518                                   
                                   33      H            -0.0401      0.0564     -0.1379                                   
                                   34      H            -0.1079      0.1741     -0.1353                                   
                                   35      H            -0.0905      0.0467     -0.2344                                   
                                   36      H            -0.0148      0.0324      0.0189                                   
                                   37      H            -0.0091      0.0261      0.0183                                   
                                   38      H            -0.0102      0.0294      0.0172                                   
                                   39      H            -0.0665      0.0927      0.0496                                   
                                   40      H            -0.1302     -0.0612      0.0474                                   
                                   41      H             0.0365     -0.0423      0.0136                                   
                                   42      H            -0.2354     -0.2531      0.0761                                   
                                   43      H            -0.1112     -0.1530     -0.2103                                   
                                   44      H             0.0595      0.0750      0.1219                                   
                                   45      H             0.1378     -0.1235      0.0826                                   
                                   46      H             0.0578      0.0438      0.2001                                   
                                   47      H            -0.0193     -0.0867     -0.1975                                   
                                   48      H             0.0146     -0.0121      0.2829                                   
                                   49      H             0.0206     -0.1475     -0.1580                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      4                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  92.89  cm**-1                                     
                                   Reduced mass:                       4.4736  amu                                        
                                   Force constant:                     0.0227  mdyne/A                                    
                                   IR intensity:                       0.5227  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0615     -0.0843     -0.1626                                   
                                   2       O             0.0187     -0.0317      0.1281                                   
                                   3       O             0.0464     -0.0750     -0.1712                                   
                                   4       C             0.0045      0.0403     -0.0337                                   
                                   5       C             0.0065      0.0554      0.0399                                   
                                   6       C            -0.0408     -0.0540     -0.0319                                   
                                   7       C            -0.0258     -0.0311     -0.0488                                   
                                   8       C             0.0351      0.0904     -0.0832                                   
                                   9       C             0.0032      0.0527      0.0555                                   
                                   10      C             0.0020     -0.0174     -0.0698                                   
                                   11      C             0.0120      0.0434     -0.0114                                   
                                   12      C            -0.0201      0.0270      0.0759                                   
                                   13      C            -0.0493     -0.0434      0.0439                                   
                                   14      C            -0.0194      0.0181      0.1241                                   
                                   15      C            -0.0547      0.0412      0.1253                                   
                                   16      C            -0.0072      0.1491      0.0389                                   
                                   17      C            -0.0479     -0.0085      0.0207                                   
                                   18      C             0.0305     -0.0040     -0.0211                                   
                                   19      C            -0.0128     -0.0035      0.0986                                   
                                   20      C             0.0313     -0.0627     -0.1220                                   
                                   21      C             0.0280     -0.0509     -0.0876                                   
                                   22      C            -0.0268      0.0035      0.1454                                   
                                   23      C             0.0123     -0.0401     -0.0275                                   
                                   24      H             0.0209      0.0999      0.0428                                   
                                   25      H            -0.0637     -0.0967     -0.0519                                   
                                   26      H            -0.0416     -0.0473     -0.0279                                   
                                   27      H            -0.0036     -0.0483     -0.0967                                   
                                   28      H             0.0500      0.1765     -0.0228                                   
                                   29      H             0.0636      0.1150     -0.1875                                   
                                   30      H             0.1123      0.0714      0.0003                                   
                                   31      H            -0.0231      0.0392     -0.0826                                   
                                   32      H            -0.0047      0.0605      0.0735                                   
                                   33      H            -0.0350      0.0269      0.1274                                   
                                   34      H            -0.0694     -0.0867      0.0633                                   
                                   35      H            -0.0538     -0.0474      0.0620                                   
                                   36      H            -0.0079     -0.0086      0.1232                                   
                                   37      H            -0.1605      0.0882      0.1162                                   
                                   38      H            -0.0308      0.0274      0.2156                                   
                                   39      H             0.0132      0.0384      0.0464                                   
                                   40      H             0.0918      0.2441     -0.0372                                   
                                   41      H            -0.1340      0.2320      0.0935                                   
                                   42      H            -0.1253      0.0165      0.0351                                   
                                   43      H            -0.0587     -0.0044      0.0063                                   
                                   44      H             0.0400      0.0111     -0.0048                                   
                                   45      H             0.0638     -0.1874     -0.1378                                   
                                   46      H             0.0337     -0.0990     -0.2006                                   
                                   47      H            -0.0591      0.0375      0.2832                                   
                                   48      H             0.0129     -0.0267      0.1358                                   
                                   49      H             0.0207     -0.0509     -0.0663                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      5                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 134.98  cm**-1                                     
                                   Reduced mass:                       2.7646  amu                                        
                                   Force constant:                     0.0297  mdyne/A                                    
                                   IR intensity:                       1.4206  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0561      0.0708     -0.0248                                   
                                   2       O            -0.0101     -0.0323      0.0901                                   
                                   3       O             0.0035      0.0266      0.0317                                   
                                   4       C            -0.0079     -0.0468     -0.0397                                   
                                   5       C             0.0015     -0.0519     -0.0579                                   
                                   6       C             0.0327     -0.0116     -0.0174                                   
                                   7       C            -0.0212     -0.0693     -0.0459                                   
                                   8       C            -0.0225     -0.0245     -0.0272                                   
                                   9       C            -0.0177     -0.0048     -0.0182                                   
                                   10      C             0.0009      0.0346     -0.0161                                   
                                   11      C             0.0211     -0.0387      0.0067                                   
                                   12      C            -0.0163     -0.0604     -0.1087                                   
                                   13      C             0.0926     -0.0372     -0.0254                                   
                                   14      C             0.0090     -0.0137      0.0586                                   
                                   15      C            -0.0157      0.0086      0.0912                                   
                                   16      C            -0.0659      0.1000     -0.0332                                   
                                   17      C             0.0074      0.0980      0.0646                                   
                                   18      C            -0.0099     -0.0126     -0.0191                                   
                                   19      C             0.0113      0.0049      0.0530                                   
                                   20      C            -0.0089      0.0201      0.0881                                   
                                   21      C            -0.0125      0.0261      0.1028                                   
                                   22      C             0.0536     -0.0099     -0.0737                                   
                                   23      C             0.0453      0.0028     -0.0799                                   
                                   24      H             0.0269     -0.0856     -0.0556                                   
                                   25      H             0.0403      0.0133     -0.0105                                   
                                   26      H            -0.0223     -0.1541     -0.0186                                   
                                   27      H            -0.0787     -0.0576     -0.1000                                   
                                   28      H            -0.0156     -0.0538     -0.0464                                   
                                   29      H            -0.0591     -0.0262      0.0060                                   
                                   30      H             0.0826     -0.0535      0.0154                                   
                                   31      H             0.0263     -0.0460     -0.0061                                   
                                   32      H            -0.0871     -0.1556     -0.0834                                   
                                   33      H            -0.0439     -0.0182     -0.2166                                   
                                   34      H             0.1914     -0.0906     -0.0752                                   
                                   35      H             0.1248      0.0030      0.0707                                   
                                   36      H             0.0281     -0.0611      0.0579                                   
                                   37      H            -0.0832      0.0777      0.0856                                   
                                   38      H             0.0050     -0.0074      0.1817                                   
                                   39      H            -0.0271     -0.1630      0.0176                                   
                                   40      H             0.1577      0.3007     -0.1668                                   
                                   41      H            -0.3511      0.2545      0.0362                                   
                                   42      H             0.0290      0.2107      0.0114                                   
                                   43      H            -0.0216      0.1327      0.1909                                   
                                   44      H            -0.0039     -0.0309     -0.0710                                   
                                   45      H            -0.0083      0.0738      0.0040                                   
                                   46      H             0.0023      0.0252      0.1150                                   
                                   47      H             0.0862     -0.0303     -0.1510                                   
                                   48      H             0.0173     -0.0586     -0.0175                                   
                                   49      H             0.0644     -0.0026     -0.1519                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      6                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 147.48  cm**-1                                     
                                   Reduced mass:                       3.6983  amu                                        
                                   Force constant:                     0.0474  mdyne/A                                    
                                   IR intensity:                       1.2808  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0089     -0.0630      0.0205                                   
                                   2       O             0.0379      0.0387     -0.0879                                   
                                   3       O            -0.0061     -0.0738      0.1197                                   
                                   4       C             0.0177      0.0171      0.0215                                   
                                   5       C            -0.0300      0.0520      0.0072                                   
                                   6       C            -0.0045     -0.0645      0.0469                                   
                                   7       C             0.0254     -0.0307      0.0232                                   
                                   8       C             0.0153     -0.0432      0.0383                                   
                                   9       C             0.0001      0.0854     -0.0695                                   
                                   10      C             0.0084     -0.0601      0.0334                                   
                                   11      C             0.0221      0.0278      0.0161                                   
                                   12      C            -0.0441      0.0201      0.0879                                   
                                   13      C            -0.0281     -0.0503      0.0929                                   
                                   14      C            -0.0296      0.0642     -0.0526                                   
                                   15      C             0.0072      0.0760      0.0165                                   
                                   16      C             0.0270      0.1883     -0.0890                                   
                                   17      C             0.0487     -0.0676     -0.0299                                   
                                   18      C             0.0460      0.0431     -0.1043                                   
                                   19      C            -0.0347      0.0123     -0.0659                                   
                                   20      C             0.0545      0.0257      0.0172                                   
                                   21      C             0.0078      0.0060      0.0597                                   
                                   22      C            -0.0905     -0.0730     -0.1146                                   
                                   23      C            -0.0680     -0.1202      0.0076                                   
                                   24      H            -0.0958      0.0745     -0.0004                                   
                                   25      H            -0.0034     -0.1070      0.0452                                   
                                   26      H             0.0159     -0.0321      0.0332                                   
                                   27      H             0.0562     -0.0472     -0.0025                                   
                                   28      H            -0.0148     -0.0614      0.0229                                   
                                   29      H             0.0469     -0.0583      0.0648                                   
                                   30      H             0.0229      0.0200      0.0166                                   
                                   31      H             0.0328      0.0249      0.0248                                   
                                   32      H            -0.0589      0.0594      0.1084                                   
                                   33      H            -0.0454      0.0165      0.1146                                   
                                   34      H            -0.0151     -0.0809      0.0907                                   
                                   35      H            -0.0429     -0.0633      0.1301                                   
                                   36      H            -0.0589      0.0370     -0.0515                                   
                                   37      H             0.0092      0.1434      0.0172                                   
                                   38      H             0.0289      0.0751      0.0653                                   
                                   39      H             0.0672     -0.0334     -0.0794                                   
                                   40      H             0.2230      0.3585     -0.1868                                   
                                   41      H            -0.2016      0.3232     -0.0153                                   
                                   42      H             0.0608     -0.1169     -0.0135                                   
                                   43      H             0.0925     -0.0985     -0.0769                                   
                                   44      H             0.0746      0.0358     -0.1718                                   
                                   45      H            -0.0933     -0.0203     -0.0516                                   
                                   46      H             0.0971      0.0075      0.0352                                   
                                   47      H            -0.1412     -0.0928     -0.2206                                   
                                   48      H            -0.0263      0.0824     -0.0751                                   
                                   49      H            -0.0891     -0.1815      0.0304                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      7                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 162.66  cm**-1                                     
                                   Reduced mass:                       4.1263  amu                                        
                                   Force constant:                     0.0643  mdyne/A                                    
                                   IR intensity:                       0.1522  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0388     -0.0276     -0.1683                                   
                                   2       O            -0.0078     -0.0542      0.1178                                   
                                   3       O            -0.0399      0.0663      0.1333                                   
                                   4       C            -0.0154      0.0103      0.0763                                   
                                   5       C             0.0147     -0.0187      0.0469                                   
                                   6       C            -0.0888      0.0451     -0.0347                                   
                                   7       C            -0.0953      0.0522      0.0503                                   
                                   8       C             0.0439      0.0759     -0.0255                                   
                                   9       C             0.0424     -0.0445     -0.0450                                   
                                   10      C            -0.0085      0.0313     -0.0748                                   
                                   11      C            -0.0384     -0.0393      0.1756                                   
                                   12      C             0.0534      0.0142      0.0648                                   
                                   13      C            -0.0389      0.0291     -0.0016                                   
                                   14      C             0.0155     -0.0572     -0.0705                                   
                                   15      C             0.0173     -0.0119      0.0667                                   
                                   16      C             0.1040     -0.0580     -0.0492                                   
                                   17      C            -0.0592      0.0326      0.0050                                   
                                   18      C            -0.0027     -0.0466     -0.0915                                   
                                   19      C             0.0325     -0.0332     -0.1247                                   
                                   20      C            -0.0062     -0.0054     -0.0396                                   
                                   21      C            -0.0127      0.0100      0.0100                                   
                                   22      C             0.0526     -0.0108     -0.1225                                   
                                   23      C             0.0020      0.0506      0.0495                                   
                                   24      H            -0.0331     -0.0375      0.0401                                   
                                   25      H            -0.1492      0.0703     -0.0804                                   
                                   26      H            -0.1278      0.0783      0.0745                                   
                                   27      H            -0.0945      0.0541      0.0611                                   
                                   28      H             0.1167      0.1337      0.0212                                   
                                   29      H             0.0448      0.1008     -0.1098                                   
                                   30      H            -0.1031     -0.1701      0.1730                                   
                                   31      H            -0.0366      0.0053      0.3096                                   
                                   32      H             0.1127      0.0933      0.0430                                   
                                   33      H             0.0916     -0.0299      0.1447                                   
                                   34      H            -0.0901      0.0022      0.0343                                   
                                   35      H            -0.0052      0.0609     -0.0473                                   
                                   36      H            -0.0567     -0.1128     -0.0662                                   
                                   37      H             0.1062      0.0702      0.0748                                   
                                   38      H            -0.0308     -0.0510      0.0845                                   
                                   39      H             0.1307     -0.1896     -0.0573                                   
                                   40      H             0.2120      0.0171     -0.0440                                   
                                   41      H            -0.0127     -0.0138     -0.0483                                   
                                   42      H            -0.1157      0.0786      0.0047                                   
                                   43      H            -0.0913      0.0542      0.0270                                   
                                   44      H            -0.0276     -0.0974     -0.1665                                   
                                   45      H             0.0559     -0.1386     -0.1324                                   
                                   46      H            -0.0048     -0.0139     -0.0557                                   
                                   47      H             0.0943     -0.0364     -0.2201                                   
                                   48      H             0.0208     -0.0741      0.0987                                   
                                   49      H            -0.0109      0.0866      0.1254                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      8                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 190.62  cm**-1                                     
                                   Reduced mass:                       1.9826  amu                                        
                                   Force constant:                     0.0424  mdyne/A                                    
                                   IR intensity:                       0.6576  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0005     -0.0089     -0.0019                                   
                                   2       O            -0.0149      0.0129     -0.0227                                   
                                   3       O            -0.0103      0.0303      0.0390                                   
                                   4       C            -0.0069      0.0117     -0.0263                                   
                                   5       C            -0.0093      0.0086     -0.0017                                   
                                   6       C             0.0059     -0.0154      0.0108                                   
                                   7       C             0.0427      0.0218     -0.0089                                   
                                   8       C            -0.0139      0.0224     -0.0100                                   
                                   9       C            -0.0039     -0.0165     -0.0143                                   
                                   10      C            -0.0049     -0.0032      0.0114                                   
                                   11      C            -0.0062      0.0199     -0.0488                                   
                                   12      C             0.0220      0.0213      0.0631                                   
                                   13      C            -0.0340      0.0015      0.0230                                   
                                   14      C             0.0097     -0.0355      0.0582                                   
                                   15      C            -0.0402     -0.0206      0.0313                                   
                                   16      C            -0.0088      0.0400     -0.0201                                   
                                   17      C             0.0027      0.0035      0.0070                                   
                                   18      C            -0.0176     -0.0662     -0.1134                                   
                                   19      C             0.0078     -0.0159      0.0877                                   
                                   20      C            -0.0172     -0.0381     -0.0115                                   
                                   21      C            -0.0282      0.0093      0.1197                                   
                                   22      C             0.0694     -0.0173     -0.0545                                   
                                   23      C             0.0526      0.0108     -0.0744                                   
                                   24      H            -0.0283      0.0433     -0.0030                                   
                                   25      H             0.0184     -0.0461      0.0189                                   
                                   26      H             0.0744      0.0845     -0.0566                                   
                                   27      H             0.0902      0.0134      0.0424                                   
                                   28      H            -0.0254      0.0496      0.0072                                   
                                   29      H            -0.0121      0.0302     -0.0372                                   
                                   30      H             0.0466      0.0724     -0.0443                                   
                                   31      H            -0.0317      0.0107     -0.1180                                   
                                   32      H             0.0553      0.1024      0.0603                                   
                                   33      H             0.0586     -0.0176      0.1304                                   
                                   34      H            -0.0943      0.0296      0.0538                                   
                                   35      H            -0.0539     -0.0225     -0.0233                                   
                                   36      H             0.0596     -0.0623      0.0558                                   
                                   37      H            -0.1110     -0.0235      0.0250                                   
                                   38      H            -0.0433     -0.0349      0.0676                                   
                                   39      H            -0.0822      0.4787     -0.0738                                   
                                   40      H            -0.3545     -0.2187      0.0266                                   
                                   41      H             0.3940     -0.1063     -0.0090                                   
                                   42      H             0.0212      0.0055      0.0002                                   
                                   43      H             0.0137     -0.0008      0.0147                                   
                                   44      H            -0.0231     -0.1435     -0.2821                                   
                                   45      H            -0.0177     -0.0114     -0.0126                                   
                                   46      H            -0.0004     -0.0828     -0.0881                                   
                                   47      H             0.1206     -0.0398     -0.1339                                   
                                   48      H            -0.0233      0.0177     -0.0346                                   
                                   49      H             0.0772      0.0199     -0.1530                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      9                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 194.87  cm**-1                                     
                                   Reduced mass:                       2.7875  amu                                        
                                   Force constant:                     0.0624  mdyne/A                                    
                                   IR intensity:                       1.8530  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0230      0.0386     -0.0924                                   
                                   2       O             0.0980     -0.0820      0.0506                                   
                                   3       O            -0.0600     -0.0386     -0.0043                                   
                                   4       C             0.0435     -0.0187      0.0114                                   
                                   5       C            -0.0071      0.0006     -0.0117                                   
                                   6       C             0.0507     -0.0093     -0.0005                                   
                                   7       C             0.0747      0.0267      0.0238                                   
                                   8       C             0.0677     -0.0392     -0.0030                                   
                                   9       C            -0.0342      0.0304      0.0122                                   
                                   10      C             0.0828      0.0123     -0.0266                                   
                                   11      C             0.0188     -0.0479      0.0634                                   
                                   12      C            -0.0266     -0.0084     -0.0385                                   
                                   13      C             0.0084      0.0067     -0.0109                                   
                                   14      C            -0.0618      0.0273     -0.0064                                   
                                   15      C             0.0164      0.0049      0.0368                                   
                                   16      C            -0.0389      0.0094      0.0189                                   
                                   17      C             0.1271      0.0853      0.0350                                   
                                   18      C            -0.0406      0.0375      0.0168                                   
                                   19      C            -0.0758      0.0209     -0.0333                                   
                                   20      C            -0.0406      0.0229     -0.0096                                   
                                   21      C            -0.0532      0.0059     -0.0242                                   
                                   22      C            -0.1212     -0.0150     -0.0193                                   
                                   23      C            -0.1031     -0.0468     -0.0014                                   
                                   24      H             0.0080     -0.0087     -0.0098                                   
                                   25      H             0.0317     -0.0233     -0.0162                                   
                                   26      H             0.0924      0.0926     -0.0141                                   
                                   27      H             0.1104      0.0247      0.0883                                   
                                   28      H             0.0905     -0.0819     -0.0299                                   
                                   29      H             0.0476     -0.0475      0.0404                                   
                                   30      H             0.0024     -0.1208      0.0647                                   
                                   31      H             0.0098     -0.0197      0.1310                                   
                                   32      H            -0.0436     -0.0494     -0.0360                                   
                                   33      H            -0.0360      0.0076     -0.0807                                   
                                   34      H             0.0178      0.0324     -0.0215                                   
                                   35      H            -0.0082     -0.0104      0.0010                                   
                                   36      H            -0.1020      0.0171     -0.0048                                   
                                   37      H             0.0416      0.0124      0.0388                                   
                                   38      H             0.0548      0.0323      0.0351                                   
                                   39      H            -0.1008      0.3873     -0.0282                                   
                                   40      H            -0.3425     -0.2292      0.0946                                   
                                   41      H             0.3260     -0.1419     -0.0016                                   
                                   42      H             0.1731      0.2188     -0.0348                                   
                                   43      H             0.0955      0.1246      0.1918                                   
                                   44      H            -0.0398      0.0461      0.0371                                   
                                   45      H             0.0997     -0.0212     -0.0316                                   
                                   46      H            -0.0368      0.0206     -0.0090                                   
                                   47      H            -0.1610     -0.0118     -0.0217                                   
                                   48      H             0.1622     -0.1330     -0.0590                                   
                                   49      H            -0.1138     -0.0741      0.0131                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      10                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 207.20  cm**-1                                     
                                   Reduced mass:                       3.6344  amu                                        
                                   Force constant:                     0.0919  mdyne/A                                    
                                   IR intensity:                      62.2245  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.2644     -0.0691      0.0765                                   
                                   2       O             0.0224      0.0392     -0.0418                                   
                                   3       O            -0.1027      0.0370      0.0002                                   
                                   4       C             0.0090     -0.0010     -0.0320                                   
                                   5       C             0.0060     -0.0060     -0.0014                                   
                                   6       C             0.0768      0.0528      0.0048                                   
                                   7       C             0.0205     -0.0094     -0.0300                                   
                                   8       C             0.0368      0.0790     -0.0472                                   
                                   9       C            -0.0322     -0.0357      0.0344                                   
                                   10      C             0.0749      0.0250      0.0088                                   
                                   11      C            -0.0307     -0.0282     -0.0215                                   
                                   12      C             0.0500      0.0205     -0.0014                                   
                                   13      C             0.1097      0.0353      0.0364                                   
                                   14      C            -0.0595     -0.0489      0.0324                                   
                                   15      C            -0.0656     -0.0431      0.0464                                   
                                   16      C            -0.0061     -0.0192      0.0296                                   
                                   17      C             0.0250     -0.0433     -0.0148                                   
                                   18      C            -0.0824     -0.0253      0.0162                                   
                                   19      C            -0.0610     -0.0249     -0.0026                                   
                                   20      C            -0.0911     -0.0060      0.0001                                   
                                   21      C            -0.0999     -0.0037      0.0071                                   
                                   22      C            -0.0306      0.0017     -0.0299                                   
                                   23      C            -0.0566      0.0403     -0.0244                                   
                                   24      H             0.0348      0.0070      0.0018                                   
                                   25      H             0.0698      0.0398     -0.0037                                   
                                   26      H             0.0387     -0.0882     -0.0243                                   
                                   27      H            -0.0527      0.0141     -0.0647                                   
                                   28      H             0.0501      0.1578      0.0080                                   
                                   29      H             0.0084      0.1111     -0.1327                                   
                                   30      H             0.0150     -0.0307     -0.0155                                   
                                   31      H            -0.0786     -0.0078     -0.0431                                   
                                   32      H             0.0195      0.0268      0.0209                                   
                                   33      H             0.0745      0.0088     -0.0325                                   
                                   34      H             0.1610     -0.0133      0.0140                                   
                                   35      H             0.1293      0.0606      0.0930                                   
                                   36      H            -0.0810     -0.0606      0.0327                                   
                                   37      H            -0.1169     -0.0138      0.0413                                   
                                   38      H            -0.0525     -0.0497      0.0936                                   
                                   39      H             0.0362     -0.2300      0.0275                                   
                                   40      H             0.1773      0.1204     -0.0053                                   
                                   41      H            -0.1916      0.0730      0.0611                                   
                                   42      H             0.0285     -0.0850      0.0036                                   
                                   43      H             0.0422     -0.0571     -0.0610                                   
                                   44      H            -0.1050     -0.0483      0.0048                                   
                                   45      H            -0.3210      0.1963     -0.3385                                   
                                   46      H            -0.0904     -0.0139     -0.0149                                   
                                   47      H             0.0055     -0.0052     -0.0486                                   
                                   48      H            -0.2109      0.1801     -0.2656                                   
                                   49      H            -0.0465      0.0707     -0.0347                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      11                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 209.80  cm**-1                                     
                                   Reduced mass:                       1.2478  amu                                        
                                   Force constant:                     0.0324  mdyne/A                                    
                                   IR intensity:                     210.7391  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0090      0.0315      0.0212                                   
                                   2       O             0.0272     -0.0106     -0.0492                                   
                                   3       O            -0.0321      0.0119      0.0044                                   
                                   4       C             0.0009      0.0003     -0.0124                                   
                                   5       C            -0.0003      0.0028      0.0096                                   
                                   6       C             0.0178      0.0097     -0.0062                                   
                                   7       C             0.0022     -0.0100     -0.0127                                   
                                   8       C             0.0094      0.0227     -0.0176                                   
                                   9       C            -0.0083     -0.0096      0.0137                                   
                                   10      C             0.0183      0.0190     -0.0036                                   
                                   11      C            -0.0074     -0.0026     -0.0175                                   
                                   12      C             0.0209      0.0126      0.0245                                   
                                   13      C             0.0282      0.0055      0.0235                                   
                                   14      C            -0.0178     -0.0137      0.0120                                   
                                   15      C            -0.0223     -0.0116      0.0121                                   
                                   16      C             0.0082      0.0034      0.0105                                   
                                   17      C             0.0147     -0.0184     -0.0440                                   
                                   18      C            -0.0252     -0.0105     -0.0019                                   
                                   19      C            -0.0179     -0.0086      0.0007                                   
                                   20      C            -0.0279     -0.0045     -0.0038                                   
                                   21      C            -0.0310     -0.0008      0.0068                                   
                                   22      C            -0.0072     -0.0013     -0.0130                                   
                                   23      C            -0.0161      0.0118     -0.0089                                   
                                   24      H             0.0030      0.0160      0.0104                                   
                                   25      H             0.0153      0.0191     -0.0039                                   
                                   26      H             0.0055     -0.0286     -0.0100                                   
                                   27      H            -0.0024     -0.0110     -0.0218                                   
                                   28      H             0.0160      0.0470     -0.0001                                   
                                   29      H             0.0002      0.0346     -0.0503                                   
                                   30      H             0.0121      0.0110     -0.0153                                   
                                   31      H            -0.0209     -0.0028     -0.0398                                   
                                   32      H             0.0174      0.0343      0.0329                                   
                                   33      H             0.0348     -0.0000      0.0346                                   
                                   34      H             0.0313     -0.0169      0.0255                                   
                                   35      H             0.0301      0.0083      0.0348                                   
                                   36      H            -0.0241     -0.0146      0.0121                                   
                                   37      H            -0.0437     -0.0028      0.0102                                   
                                   38      H            -0.0182     -0.0142      0.0290                                   
                                   39      H             0.0281     -0.0942      0.0073                                   
                                   40      H             0.0940      0.0691     -0.0065                                   
                                   41      H            -0.0773      0.0475      0.0284                                   
                                   42      H             0.0060     -0.0933     -0.0140                                   
                                   43      H            -0.0057     -0.0188     -0.1102                                   
                                   44      H            -0.0331     -0.0228     -0.0158                                   
                                   45      H             0.5899     -0.2695      0.4527                                   
                                   46      H            -0.0271     -0.0107     -0.0157                                   
                                   47      H             0.0057     -0.0047     -0.0237                                   
                                   48      H             0.3196     -0.1763      0.3724                                   
                                   49      H            -0.0126      0.0211     -0.0134                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      12                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 267.88  cm**-1                                     
                                   Reduced mass:                       2.5906  amu                                        
                                   Force constant:                     0.1095  mdyne/A                                    
                                   IR intensity:                       7.1443  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0076      0.0307     -0.0084                                   
                                   2       O             0.0972     -0.0908      0.0557                                   
                                   3       O            -0.0027     -0.0058     -0.0193                                   
                                   4       C             0.0025      0.0043      0.0608                                   
                                   5       C            -0.0296      0.0098      0.0386                                   
                                   6       C            -0.0223      0.0530     -0.0172                                   
                                   7       C            -0.0346      0.0392      0.0502                                   
                                   8       C             0.0350     -0.0596      0.0317                                   
                                   9       C            -0.0308     -0.0101      0.0160                                   
                                   10      C             0.0356      0.0027     -0.0306                                   
                                   11      C            -0.0094      0.0224     -0.0398                                   
                                   12      C             0.0154      0.0509      0.0365                                   
                                   13      C            -0.0541      0.0681     -0.0167                                   
                                   14      C             0.0044      0.0130      0.0075                                   
                                   15      C             0.0502     -0.0689     -0.1666                                   
                                   16      C            -0.0496      0.0306      0.0050                                   
                                   17      C             0.0594     -0.0017     -0.0305                                   
                                   18      C            -0.0313     -0.0510     -0.0550                                   
                                   19      C            -0.0202      0.0112      0.1028                                   
                                   20      C            -0.0310     -0.0339     -0.0099                                   
                                   21      C            -0.0237      0.0098      0.0819                                   
                                   22      C            -0.0016     -0.0006      0.0346                                   
                                   23      C             0.0129     -0.0138     -0.0547                                   
                                   24      H            -0.0485     -0.0057      0.0357                                   
                                   25      H            -0.0639      0.0641     -0.0494                                   
                                   26      H            -0.0628      0.0344      0.0757                                   
                                   27      H            -0.0655      0.0519      0.0559                                   
                                   28      H             0.0572     -0.1294     -0.0143                                   
                                   29      H             0.0386     -0.0836      0.1098                                   
                                   30      H            -0.1047      0.0994     -0.0559                                   
                                   31      H             0.0029      0.0078     -0.0619                                   
                                   32      H             0.0721      0.1099      0.0115                                   
                                   33      H             0.0593      0.0083      0.0901                                   
                                   34      H            -0.1109      0.1056      0.0105                                   
                                   35      H            -0.0717      0.0445     -0.0809                                   
                                   36      H             0.0863      0.1090      0.0015                                   
                                   37      H             0.1614     -0.2566     -0.1558                                   
                                   38      H             0.0342     -0.0059     -0.3879                                   
                                   39      H            -0.0076     -0.2522      0.0578                                   
                                   40      H             0.1749      0.2135     -0.0724                                   
                                   41      H            -0.3305      0.1430      0.0149                                   
                                   42      H             0.0341      0.0353     -0.0363                                   
                                   43      H             0.0370      0.0135     -0.0030                                   
                                   44      H            -0.0319     -0.1019     -0.1718                                   
                                   45      H            -0.0964      0.1206     -0.0915                                   
                                   46      H            -0.0327     -0.0665     -0.0860                                   
                                   47      H             0.0055     -0.0025      0.0284                                   
                                   48      H             0.0728     -0.0830     -0.0653                                   
                                   49      H             0.0325     -0.0267     -0.1347                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      13                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 271.09  cm**-1                                     
                                   Reduced mass:                       2.8842  amu                                        
                                   Force constant:                     0.1249  mdyne/A                                    
                                   IR intensity:                       7.8672  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0523     -0.0558     -0.0946                                   
                                   2       O            -0.0709      0.0848     -0.0596                                   
                                   3       O            -0.0071      0.0059      0.0263                                   
                                   4       C             0.0056     -0.0171      0.0717                                   
                                   5       C             0.0265     -0.0429      0.0565                                   
                                   6       C            -0.0060     -0.0165      0.0644                                   
                                   7       C             0.0079     -0.0106      0.0765                                   
                                   8       C             0.0222      0.0983      0.0428                                   
                                   9       C             0.0093      0.0164      0.0828                                   
                                   10      C            -0.0056      0.0221      0.0498                                   
                                   11      C            -0.0293     -0.0173     -0.0143                                   
                                   12      C            -0.0935     -0.0942     -0.1222                                   
                                   13      C             0.0035     -0.0218     -0.0356                                   
                                   14      C            -0.0004      0.0238      0.0143                                   
                                   15      C             0.0304     -0.0470     -0.1276                                   
                                   16      C             0.0518      0.1113      0.0665                                   
                                   17      C            -0.0144      0.0324      0.0442                                   
                                   18      C            -0.0107     -0.0184     -0.0059                                   
                                   19      C             0.0042     -0.0110      0.0072                                   
                                   20      C            -0.0115     -0.0324     -0.0446                                   
                                   21      C            -0.0058     -0.0046      0.0200                                   
                                   22      C             0.0159     -0.0134     -0.0239                                   
                                   23      C             0.0070     -0.0008     -0.0050                                   
                                   24      H             0.0917     -0.1153      0.0614                                   
                                   25      H             0.0035      0.0160      0.0729                                   
                                   26      H             0.0211      0.0179      0.0584                                   
                                   27      H             0.0305     -0.0147      0.1016                                   
                                   28      H             0.0672      0.1732      0.0992                                   
                                   29      H             0.0025      0.1348     -0.0675                                   
                                   30      H            -0.1208      0.0191     -0.0275                                   
                                   31      H            -0.0016     -0.0278     -0.0005                                   
                                   32      H            -0.1650     -0.3334     -0.1311                                   
                                   33      H            -0.2004      0.0231     -0.3126                                   
                                   34      H             0.0857      0.0248     -0.0927                                   
                                   35      H             0.0060     -0.0176     -0.0125                                   
                                   36      H            -0.0040      0.1351      0.0104                                   
                                   37      H             0.1196     -0.1910     -0.1181                                   
                                   38      H             0.0292      0.0089     -0.2969                                   
                                   39      H             0.0518      0.1684      0.0213                                   
                                   40      H             0.0268      0.1121      0.0157                                   
                                   41      H             0.0952      0.1317      0.1277                                   
                                   42      H             0.0402      0.0111      0.0335                                   
                                   43      H            -0.0119      0.0306      0.0466                                   
                                   44      H            -0.0193     -0.0451     -0.0532                                   
                                   45      H             0.1546     -0.2675      0.0157                                   
                                   46      H            -0.0147     -0.0661     -0.1248                                   
                                   47      H             0.0290     -0.0212     -0.0533                                   
                                   48      H            -0.0049      0.0505      0.0742                                   
                                   49      H             0.0092      0.0047     -0.0078                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      14                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 271.47  cm**-1                                     
                                   Reduced mass:                       2.8594  amu                                        
                                   Force constant:                     0.1242  mdyne/A                                    
                                   IR intensity:                       4.3085  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0998      0.0270      0.0107                                   
                                   2       O             0.0359     -0.0416      0.0285                                   
                                   3       O            -0.0543      0.0288      0.0469                                   
                                   4       C             0.0109      0.0168     -0.0422                                   
                                   5       C             0.0214      0.0250      0.0408                                   
                                   6       C             0.0169     -0.0238     -0.0239                                   
                                   7       C             0.0832      0.0481     -0.0206                                   
                                   8       C            -0.0145     -0.0603      0.0005                                   
                                   9       C             0.0191     -0.0025      0.0999                                   
                                   10      C            -0.0071     -0.0401     -0.0043                                   
                                   11      C             0.0114      0.0406     -0.1017                                   
                                   12      C            -0.0225      0.0125     -0.0325                                   
                                   13      C            -0.0776      0.0158     -0.0762                                   
                                   14      C            -0.0240     -0.0192      0.0410                                   
                                   15      C            -0.0618      0.0023      0.0416                                   
                                   16      C             0.1991      0.0363      0.0920                                   
                                   17      C             0.0325     -0.0010      0.0069                                   
                                   18      C            -0.0241     -0.0084      0.0512                                   
                                   19      C             0.0027     -0.0532     -0.0594                                   
                                   20      C            -0.0313     -0.0341     -0.0416                                   
                                   21      C            -0.0342     -0.0317     -0.0322                                   
                                   22      C             0.0292     -0.0237     -0.0598                                   
                                   23      C            -0.0123      0.0326      0.0277                                   
                                   24      H             0.1013      0.0535      0.0506                                   
                                   25      H             0.0456     -0.0463     -0.0036                                   
                                   26      H             0.1099      0.1724     -0.0851                                   
                                   27      H             0.1653      0.0358      0.0834                                   
                                   28      H            -0.0547     -0.1124     -0.0396                                   
                                   29      H             0.0173     -0.0882      0.0704                                   
                                   30      H             0.1054      0.1513     -0.0945                                   
                                   31      H            -0.0257      0.0152     -0.2375                                   
                                   32      H             0.0268     -0.0296     -0.0774                                   
                                   33      H            -0.0561      0.0322     -0.0161                                   
                                   34      H            -0.1196      0.1080     -0.0664                                   
                                   35      H            -0.1268     -0.0420     -0.1475                                   
                                   36      H            -0.0909      0.0026      0.0418                                   
                                   37      H            -0.1836      0.0526      0.0305                                   
                                   38      H            -0.0467     -0.0193      0.1384                                   
                                   39      H             0.2660     -0.1401     -0.0379                                   
                                   40      H             0.3833      0.1637      0.1074                                   
                                   41      H             0.1047      0.1306      0.1846                                   
                                   42      H             0.0322      0.0431     -0.0102                                   
                                   43      H             0.0358      0.0018      0.0454                                   
                                   44      H            -0.0427     -0.0128      0.0743                                   
                                   45      H            -0.1592      0.1356     -0.0504                                   
                                   46      H            -0.0306     -0.0558     -0.0880                                   
                                   47      H             0.0701     -0.0349     -0.0949                                   
                                   48      H            -0.0286     -0.0093     -0.1181                                   
                                   49      H            -0.0164      0.0755      0.0781                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      15                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 294.51  cm**-1                                     
                                   Reduced mass:                       3.1300  amu                                        
                                   Force constant:                     0.1600  mdyne/A                                    
                                   IR intensity:                       8.9934  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0007     -0.0763     -0.0770                                   
                                   2       O            -0.0165      0.0357     -0.0366                                   
                                   3       O            -0.0106     -0.0101     -0.0853                                   
                                   4       C            -0.0015      0.0224      0.0010                                   
                                   5       C            -0.0123      0.0059     -0.0558                                   
                                   6       C            -0.0005     -0.0284      0.0391                                   
                                   7       C             0.0822      0.0733      0.0388                                   
                                   8       C            -0.0099      0.0206      0.0278                                   
                                   9       C             0.0025     -0.0270     -0.1091                                   
                                   10      C            -0.0095     -0.0354      0.0475                                   
                                   11      C            -0.0433     -0.0054      0.0130                                   
                                   12      C            -0.0151      0.0015     -0.0203                                   
                                   13      C            -0.0436     -0.0056     -0.0313                                   
                                   14      C            -0.0046     -0.0481     -0.0239                                   
                                   15      C            -0.0456     -0.0193      0.0151                                   
                                   16      C             0.1445     -0.0868     -0.1112                                   
                                   17      C             0.0495      0.0343      0.0655                                   
                                   18      C            -0.0056      0.0188     -0.0280                                   
                                   19      C            -0.0433      0.0227      0.1126                                   
                                   20      C            -0.0040      0.0713      0.1438                                   
                                   21      C            -0.0397      0.0207      0.0640                                   
                                   22      C            -0.0357      0.0329      0.1078                                   
                                   23      C            -0.0049      0.0014     -0.0584                                   
                                   24      H            -0.0485      0.0004     -0.0601                                   
                                   25      H             0.0281     -0.0329      0.0603                                   
                                   26      H             0.0997      0.2168     -0.0259                                   
                                   27      H             0.2006      0.0480      0.1526                                   
                                   28      H            -0.0292      0.0511      0.0471                                   
                                   29      H             0.0022      0.0286     -0.0084                                   
                                   30      H            -0.0486     -0.0316      0.0138                                   
                                   31      H            -0.0684      0.0162      0.0347                                   
                                   32      H             0.0127      0.0463     -0.0275                                   
                                   33      H            -0.0081     -0.0141      0.0292                                   
                                   34      H            -0.0485      0.0507     -0.0368                                   
                                   35      H            -0.0608     -0.0270     -0.0612                                   
                                   36      H             0.1014     -0.1320     -0.0230                                   
                                   37      H            -0.0571      0.0169      0.0137                                   
                                   38      H            -0.0633     -0.0441      0.0517                                   
                                   39      H             0.2048     -0.3181     -0.1785                                   
                                   40      H             0.3482      0.0348     -0.0424                                   
                                   41      H             0.0093     -0.0283     -0.1020                                   
                                   42      H             0.1218      0.1123      0.0085                                   
                                   43      H             0.0934      0.0258      0.1675                                   
                                   44      H            -0.0075      0.0332      0.0112                                   
                                   45      H             0.0940     -0.2420      0.0173                                   
                                   46      H             0.0288      0.1155      0.2910                                   
                                   47      H            -0.0437      0.0487      0.1734                                   
                                   48      H             0.0189      0.0126     -0.0247                                   
                                   49      H             0.0198     -0.0145     -0.1592                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      16                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 301.77  cm**-1                                     
                                   Reduced mass:                       2.9889  amu                                        
                                   Force constant:                     0.1604  mdyne/A                                    
                                   IR intensity:                       3.0036  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0280      0.0551      0.0173                                   
                                   2       O            -0.0214     -0.0112      0.0322                                   
                                   3       O             0.0069     -0.0284     -0.0130                                   
                                   4       C            -0.0079     -0.0406      0.0005                                   
                                   5       C             0.0191     -0.0333      0.0426                                   
                                   6       C            -0.0056      0.0212     -0.0479                                   
                                   7       C            -0.0554     -0.0427     -0.0224                                   
                                   8       C            -0.0024     -0.0296     -0.0285                                   
                                   9       C             0.0186      0.0308      0.0330                                   
                                   10      C            -0.0126      0.0279     -0.0572                                   
                                   11      C             0.0189     -0.0296      0.0144                                   
                                   12      C             0.0271     -0.0330     -0.0096                                   
                                   13      C             0.1024     -0.0232      0.0328                                   
                                   14      C            -0.0072      0.0545      0.0161                                   
                                   15      C             0.0308      0.0253     -0.0158                                   
                                   16      C             0.2217     -0.0321      0.0368                                   
                                   17      C            -0.0957     -0.0489     -0.0724                                   
                                   18      C            -0.0104      0.0105     -0.0615                                   
                                   19      C            -0.0531      0.0927      0.0909                                   
                                   20      C            -0.0064      0.0480     -0.0087                                   
                                   21      C            -0.0138      0.0743      0.0860                                   
                                   22      C            -0.1039      0.0237      0.0281                                   
                                   23      C            -0.0492     -0.0552     -0.0602                                   
                                   24      H             0.0529     -0.0500      0.0450                                   
                                   25      H            -0.0307      0.0415     -0.0659                                   
                                   26      H            -0.0425     -0.0769     -0.0156                                   
                                   27      H            -0.1062     -0.0256     -0.0425                                   
                                   28      H             0.0269     -0.0638     -0.0495                                   
                                   29      H            -0.0178     -0.0371      0.0082                                   
                                   30      H            -0.0014     -0.0537      0.0129                                   
                                   31      H             0.0567     -0.0385      0.0504                                   
                                   32      H            -0.0269     -0.0901      0.0127                                   
                                   33      H             0.0245     -0.0167     -0.0748                                   
                                   34      H             0.1815     -0.1517      0.0085                                   
                                   35      H             0.1656      0.0511      0.1350                                   
                                   36      H             0.0410      0.0630      0.0145                                   
                                   37      H             0.0499     -0.0119     -0.0142                                   
                                   38      H             0.0615      0.0578     -0.0504                                   
                                   39      H             0.2368      0.0701     -0.1134                                   
                                   40      H             0.1664     -0.1219      0.1947                                   
                                   41      H             0.4000     -0.1134      0.0222                                   
                                   42      H            -0.1866     -0.1595      0.0038                                   
                                   43      H            -0.1387     -0.0460     -0.2116                                   
                                   44      H            -0.0258     -0.0612     -0.2003                                   
                                   45      H            -0.1092      0.1726     -0.0589                                   
                                   46      H            -0.0120      0.0131     -0.0940                                   
                                   47      H            -0.1684      0.0266      0.0149                                   
                                   48      H            -0.0600      0.0175      0.0689                                   
                                   49      H            -0.0428     -0.1259     -0.1430                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      17                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 319.21  cm**-1                                     
                                   Reduced mass:                       2.5694  amu                                        
                                   Force constant:                     0.1543  mdyne/A                                    
                                   IR intensity:                       1.4959  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0270      0.0262      0.0125                                   
                                   2       O            -0.0164     -0.0075      0.0148                                   
                                   3       O            -0.0255      0.0048     -0.0456                                   
                                   4       C            -0.0073     -0.0513     -0.0231                                   
                                   5       C             0.0287     -0.0546      0.0092                                   
                                   6       C             0.0081      0.0023     -0.0281                                   
                                   7       C             0.0189      0.0117     -0.0150                                   
                                   8       C            -0.0136      0.0026     -0.0302                                   
                                   9       C             0.0237     -0.0228      0.0008                                   
                                   10      C            -0.0091      0.0049     -0.0220                                   
                                   11      C            -0.0513     -0.1037      0.0162                                   
                                   12      C             0.1078     -0.0152      0.0737                                   
                                   13      C             0.0087     -0.0020     -0.0026                                   
                                   14      C            -0.0084     -0.0400     -0.0188                                   
                                   15      C            -0.0019     -0.0770     -0.0732                                   
                                   16      C             0.0373      0.2135     -0.0299                                   
                                   17      C            -0.0383     -0.0148     -0.0205                                   
                                   18      C            -0.0013      0.0270      0.0602                                   
                                   19      C            -0.0025     -0.0392     -0.0340                                   
                                   20      C            -0.0033      0.0457      0.1207                                   
                                   21      C            -0.0223     -0.0283     -0.0467                                   
                                   22      C             0.0090      0.0041      0.0328                                   
                                   23      C            -0.0061      0.0295      0.0155                                   
                                   24      H             0.0190     -0.0262      0.0090                                   
                                   25      H             0.0084     -0.0035     -0.0276                                   
                                   26      H             0.0613      0.0721     -0.0697                                   
                                   27      H             0.0373      0.0206      0.0669                                   
                                   28      H             0.0050      0.0439     -0.0009                                   
                                   29      H            -0.0343      0.0213     -0.0756                                   
                                   30      H            -0.1279     -0.2093      0.0115                                   
                                   31      H            -0.0470     -0.0634      0.1407                                   
                                   32      H             0.1764      0.1291      0.0612                                   
                                   33      H             0.1750     -0.0888      0.1866                                   
                                   34      H            -0.0778      0.0109      0.0465                                   
                                   35      H             0.0134     -0.0022     -0.0829                                   
                                   36      H            -0.0297      0.0092     -0.0198                                   
                                   37      H             0.0582     -0.1218     -0.0652                                   
                                   38      H             0.0010     -0.0501     -0.1473                                   
                                   39      H             0.0137      0.4060     -0.0882                                   
                                   40      H            -0.0721      0.1816     -0.1645                                   
                                   41      H             0.1669      0.2664      0.1323                                   
                                   42      H            -0.0687     -0.0472      0.0035                                   
                                   43      H            -0.0449     -0.0171     -0.0666                                   
                                   44      H             0.0003      0.0975      0.2243                                   
                                   45      H            -0.0521      0.0846     -0.0162                                   
                                   46      H             0.0151      0.1122      0.2969                                   
                                   47      H             0.0267      0.0149      0.0866                                   
                                   48      H            -0.0418      0.0083     -0.0025                                   
                                   49      H            -0.0034      0.0602      0.0323                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      18                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 333.42  cm**-1                                     
                                   Reduced mass:                       2.4191  amu                                        
                                   Force constant:                     0.1584  mdyne/A                                    
                                   IR intensity:                       2.8188  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0317      0.0490     -0.0357                                   
                                   2       O             0.0667     -0.0517      0.0167                                   
                                   3       O            -0.0062      0.0127     -0.0167                                   
                                   4       C            -0.0157      0.0352      0.0155                                   
                                   5       C            -0.0456      0.0398     -0.0047                                   
                                   6       C            -0.0273      0.0335      0.0256                                   
                                   7       C            -0.0091      0.0501      0.0246                                   
                                   8       C             0.0109     -0.0281      0.0118                                   
                                   9       C            -0.0087     -0.0050     -0.0476                                   
                                   10      C             0.0318      0.0482     -0.0305                                   
                                   11      C            -0.0422      0.0378     -0.0158                                   
                                   12      C            -0.1554     -0.0240     -0.0116                                   
                                   13      C             0.0349      0.0069      0.1383                                   
                                   14      C             0.0001     -0.0395     -0.0194                                   
                                   15      C            -0.0509     -0.0120     -0.0073                                   
                                   16      C             0.0343      0.0138     -0.0555                                   
                                   17      C            -0.0079     -0.0436     -0.0866                                   
                                   18      C             0.0086      0.0102      0.0165                                   
                                   19      C             0.0249     -0.0708     -0.0045                                   
                                   20      C             0.0095     -0.0180      0.0635                                   
                                   21      C            -0.0059     -0.0565     -0.0183                                   
                                   22      C             0.0782     -0.0147      0.0248                                   
                                   23      C             0.0481      0.0362      0.0175                                   
                                   24      H            -0.0721      0.0609     -0.0083                                   
                                   25      H            -0.0685     -0.0224     -0.0105                                   
                                   26      H            -0.0009      0.0860      0.0066                                   
                                   27      H             0.0229      0.0427      0.0492                                   
                                   28      H             0.0184     -0.1369     -0.0618                                   
                                   29      H            -0.0032     -0.0612      0.1311                                   
                                   30      H            -0.0422      0.0774     -0.0178                                   
                                   31      H            -0.0657      0.0384     -0.0522                                   
                                   32      H            -0.3316     -0.2678      0.0500                                   
                                   33      H            -0.2572      0.1023     -0.2593                                   
                                   34      H             0.1827     -0.1259      0.0728                                   
                                   35      H             0.0883      0.0749      0.2990                                   
                                   36      H             0.0184     -0.0618     -0.0184                                   
                                   37      H            -0.0696      0.0059     -0.0086                                   
                                   38      H            -0.0789     -0.0392      0.0153                                   
                                   39      H             0.0230      0.1270     -0.1001                                   
                                   40      H            -0.0427     -0.0431     -0.0456                                   
                                   41      H             0.1514     -0.0146     -0.0298                                   
                                   42      H            -0.0742     -0.1627     -0.0158                                   
                                   43      H            -0.0811     -0.0256     -0.2148                                   
                                   44      H             0.0281      0.0696      0.1217                                   
                                   45      H            -0.0959      0.1048     -0.1255                                   
                                   46      H             0.0437      0.0108      0.1754                                   
                                   47      H             0.1344     -0.0131      0.0547                                   
                                   48      H             0.0945     -0.0639      0.0979                                   
                                   49      H             0.0571      0.0857      0.0282                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      19                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 357.10  cm**-1                                     
                                   Reduced mass:                       2.8193  amu                                        
                                   Force constant:                     0.2118  mdyne/A                                    
                                   IR intensity:                       0.5143  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0243      0.0653      0.0204                                   
                                   2       O            -0.0840      0.0434     -0.0018                                   
                                   3       O             0.0168     -0.0054      0.0142                                   
                                   4       C             0.0517     -0.0103     -0.1116                                   
                                   5       C            -0.0306      0.0433     -0.0302                                   
                                   6       C             0.0476     -0.0269     -0.0091                                   
                                   7       C             0.1388      0.0729     -0.0903                                   
                                   8       C             0.0045     -0.0122     -0.0668                                   
                                   9       C            -0.0361     -0.0137      0.0189                                   
                                   10      C             0.0226      0.0473     -0.0262                                   
                                   11      C             0.0602     -0.0939      0.0865                                   
                                   12      C            -0.1135     -0.0040      0.0553                                   
                                   13      C            -0.0967      0.0171      0.0754                                   
                                   14      C             0.0057      0.0029      0.0118                                   
                                   15      C             0.1111     -0.0520     -0.0010                                   
                                   16      C            -0.0196     -0.0275      0.0209                                   
                                   17      C            -0.0757      0.0222     -0.0000                                   
                                   18      C            -0.0191     -0.0380      0.0042                                   
                                   19      C             0.0060      0.0118      0.0178                                   
                                   20      C            -0.0200     -0.0329     -0.0291                                   
                                   21      C             0.0126      0.0056      0.0207                                   
                                   22      C             0.0030     -0.0033     -0.0004                                   
                                   23      C             0.0103     -0.0147     -0.0052                                   
                                   24      H            -0.0150      0.1728     -0.0246                                   
                                   25      H             0.0797     -0.1811      0.0096                                   
                                   26      H             0.1787      0.1975     -0.1736                                   
                                   27      H             0.2399      0.0576      0.0421                                   
                                   28      H            -0.0116     -0.0492     -0.0939                                   
                                   29      H            -0.0364     -0.0184     -0.0137                                   
                                   30      H             0.0152     -0.3394      0.0918                                   
                                   31      H             0.0395     -0.0089      0.3037                                   
                                   32      H            -0.1627     -0.0661      0.0737                                   
                                   33      H            -0.1411      0.0309     -0.0107                                   
                                   34      H            -0.1282      0.0798      0.0819                                   
                                   35      H            -0.1573     -0.0505      0.0301                                   
                                   36      H            -0.0005      0.0193      0.0116                                   
                                   37      H             0.2189     -0.1164      0.0085                                   
                                   38      H             0.1286     -0.0037     -0.1086                                   
                                   39      H             0.0178     -0.2066      0.0157                                   
                                   40      H             0.1294      0.0813      0.0092                                   
                                   41      H            -0.1531      0.0350      0.0364                                   
                                   42      H            -0.0943     -0.0480      0.0349                                   
                                   43      H            -0.1289      0.0383     -0.0783                                   
                                   44      H            -0.0256     -0.0580     -0.0342                                   
                                   45      H             0.0411      0.0998      0.0227                                   
                                   46      H            -0.0463     -0.0448     -0.0936                                   
                                   47      H            -0.0017     -0.0059     -0.0137                                   
                                   48      H            -0.0647      0.0359      0.0661                                   
                                   49      H             0.0107     -0.0264     -0.0167                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      20                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 367.61  cm**-1                                     
                                   Reduced mass:                       3.3827  amu                                        
                                   Force constant:                     0.2693  mdyne/A                                    
                                   IR intensity:                       4.3510  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.1199      0.0084      0.1745                                   
                                   2       O             0.0760     -0.0193     -0.0035                                   
                                   3       O             0.0520     -0.0054     -0.0018                                   
                                   4       C            -0.0618     -0.0519     -0.0300                                   
                                   5       C            -0.0508     -0.0269      0.0522                                   
                                   6       C            -0.0547     -0.0058     -0.0251                                   
                                   7       C            -0.1227     -0.0802     -0.0540                                   
                                   8       C            -0.0243      0.0426     -0.0927                                   
                                   9       C            -0.0030      0.0079     -0.0068                                   
                                   10      C             0.0156      0.0065     -0.0354                                   
                                   11      C            -0.0434     -0.0498      0.0106                                   
                                   12      C            -0.1216     -0.0447      0.0058                                   
                                   13      C            -0.1691      0.0141     -0.0228                                   
                                   14      C             0.0039      0.0129     -0.0203                                   
                                   15      C            -0.0280      0.0245     -0.0108                                   
                                   16      C             0.1040      0.0154     -0.0135                                   
                                   17      C             0.0976      0.0875      0.0078                                   
                                   18      C             0.0165     -0.0028     -0.0223                                   
                                   19      C             0.0219      0.0142     -0.0035                                   
                                   20      C             0.0239      0.0134      0.0308                                   
                                   21      C             0.0433      0.0102      0.0041                                   
                                   22      C             0.0193      0.0129      0.0164                                   
                                   23      C             0.0334     -0.0065      0.0103                                   
                                   24      H            -0.0455     -0.0030      0.0516                                   
                                   25      H            -0.0945     -0.0455     -0.0568                                   
                                   26      H            -0.0975     -0.1982     -0.0316                                   
                                   27      H            -0.2308     -0.0513     -0.1306                                   
                                   28      H             0.0066      0.1485     -0.0170                                   
                                   29      H            -0.0509      0.0856     -0.2141                                   
                                   30      H            -0.0659     -0.1193      0.0112                                   
                                   31      H            -0.0064     -0.0446      0.0864                                   
                                   32      H            -0.0869     -0.1089     -0.0330                                   
                                   33      H            -0.1455     -0.0180     -0.0323                                   
                                   34      H            -0.2327      0.1278     -0.0044                                   
                                   35      H            -0.2292     -0.0569     -0.1203                                   
                                   36      H             0.0141      0.0121     -0.0196                                   
                                   37      H            -0.0341      0.0615     -0.0105                                   
                                   38      H            -0.0230      0.0139      0.0293                                   
                                   39      H             0.1045      0.0980     -0.0886                                   
                                   40      H             0.0458     -0.0384      0.0334                                   
                                   41      H             0.1971     -0.0117      0.0043                                   
                                   42      H             0.1523      0.2808     -0.0899                                   
                                   43      H             0.1410      0.0941      0.2076                                   
                                   44      H             0.0247      0.0056     -0.0201                                   
                                   45      H             0.1667      0.1081      0.1808                                   
                                   46      H             0.0148      0.0326      0.0595                                   
                                   47      H             0.0081      0.0164      0.0302                                   
                                   48      H             0.0766     -0.0309     -0.1509                                   
                                   49      H             0.0292     -0.0225      0.0120                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      21                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 377.12  cm**-1                                     
                                   Reduced mass:                       2.3421  amu                                        
                                   Force constant:                     0.1963  mdyne/A                                    
                                   IR intensity:                       3.4510  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0342      0.1178     -0.0148                                   
                                   2       O             0.0130     -0.0390      0.0088                                   
                                   3       O            -0.0006     -0.0100     -0.0140                                   
                                   4       C             0.0453     -0.0323      0.0483                                   
                                   5       C             0.0207     -0.0403      0.0303                                   
                                   6       C             0.0395     -0.0299      0.0730                                   
                                   7       C             0.0308     -0.0622      0.0441                                   
                                   8       C             0.0580      0.1370      0.0314                                   
                                   9       C             0.0196     -0.0293     -0.0356                                   
                                   10      C             0.0451      0.0695      0.0413                                   
                                   11      C             0.0570     -0.0014     -0.0527                                   
                                   12      C            -0.0221     -0.0583      0.0005                                   
                                   13      C            -0.0911      0.0057     -0.0345                                   
                                   14      C             0.0096     -0.0369     -0.0073                                   
                                   15      C             0.0121     -0.0222      0.0473                                   
                                   16      C            -0.0265     -0.0210     -0.0433                                   
                                   17      C            -0.0240     -0.0507     -0.0410                                   
                                   18      C            -0.0008     -0.0161     -0.0325                                   
                                   19      C            -0.0089      0.0251     -0.0196                                   
                                   20      C            -0.0010      0.0431      0.0316                                   
                                   21      C            -0.0006      0.0236     -0.0130                                   
                                   22      C            -0.0415      0.0111      0.0024                                   
                                   23      C            -0.0286     -0.0117      0.0000                                   
                                   24      H            -0.0102     -0.0609      0.0244                                   
                                   25      H             0.0543     -0.0574      0.0818                                   
                                   26      H             0.0133     -0.1103      0.0754                                   
                                   27      H            -0.0122     -0.0540     -0.0014                                   
                                   28      H             0.1074      0.2861      0.1377                                   
                                   29      H             0.0174      0.2031     -0.1617                                   
                                   30      H             0.1309      0.1486     -0.0497                                   
                                   31      H             0.0464     -0.0481     -0.2096                                   
                                   32      H             0.0072     -0.0904     -0.0272                                   
                                   33      H            -0.0437     -0.0402     -0.0128                                   
                                   34      H            -0.2002      0.2355     -0.0109                                   
                                   35      H            -0.1936     -0.1153     -0.2367                                   
                                   36      H             0.0038     -0.0871     -0.0062                                   
                                   37      H            -0.0645      0.0390      0.0396                                   
                                   38      H             0.0261     -0.0401      0.1326                                   
                                   39      H            -0.0367     -0.0435      0.0131                                   
                                   40      H            -0.0276     -0.0076     -0.0851                                   
                                   41      H            -0.0819     -0.0048     -0.0532                                   
                                   42      H            -0.0648     -0.2753      0.0651                                   
                                   43      H            -0.1325     -0.0308     -0.2711                                   
                                   44      H            -0.0248     -0.0264     -0.0169                                   
                                   45      H            -0.1778      0.2265     -0.1273                                   
                                   46      H            -0.0133      0.0737      0.0840                                   
                                   47      H            -0.0742      0.0170      0.0146                                   
                                   48      H             0.0281     -0.0434      0.0724                                   
                                   49      H            -0.0342     -0.0291      0.0048                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      22                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 381.44  cm**-1                                     
                                   Reduced mass:                       2.7142  amu                                        
                                   Force constant:                     0.2327  mdyne/A                                    
                                   IR intensity:                       3.4775  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.1342      0.0101      0.0371                                   
                                   2       O             0.1000     -0.0598     -0.0001                                   
                                   3       O            -0.0231      0.0221      0.0101                                   
                                   4       C             0.0024      0.0694     -0.0341                                   
                                   5       C             0.0407      0.0541     -0.0388                                   
                                   6       C             0.0082     -0.0512      0.0226                                   
                                   7       C             0.0273     -0.0052     -0.0322                                   
                                   8       C            -0.0036      0.1390     -0.0304                                   
                                   9       C             0.0188      0.0507      0.0100                                   
                                   10      C            -0.0142     -0.0611      0.0400                                   
                                   11      C            -0.1096     -0.0357      0.1004                                   
                                   12      C            -0.0069      0.0155     -0.0421                                   
                                   13      C             0.0363     -0.0592     -0.0131                                   
                                   14      C            -0.0223      0.0195      0.0041                                   
                                   15      C            -0.0412      0.0026     -0.0405                                   
                                   16      C            -0.0150     -0.0264      0.0244                                   
                                   17      C             0.0649     -0.0794     -0.0193                                   
                                   18      C             0.0370      0.0441      0.0031                                   
                                   19      C            -0.0140     -0.0203      0.0473                                   
                                   20      C             0.0350     -0.0226     -0.0532                                   
                                   21      C            -0.0236     -0.0147      0.0393                                   
                                   22      C             0.0304     -0.0002      0.0034                                   
                                   23      C             0.0190      0.0235     -0.0241                                   
                                   24      H             0.0704      0.0480     -0.0344                                   
                                   25      H             0.0467     -0.0400      0.0507                                   
                                   26      H             0.0283     -0.0357     -0.0253                                   
                                   27      H             0.0578     -0.0274     -0.0862                                   
                                   28      H            -0.0532      0.3676      0.1204                                   
                                   29      H             0.0665      0.2013     -0.2897                                   
                                   30      H            -0.2223     -0.3020      0.0982                                   
                                   31      H            -0.1330      0.0690      0.3691                                   
                                   32      H            -0.0247      0.0091     -0.0299                                   
                                   33      H            -0.0475      0.0420     -0.0289                                   
                                   34      H             0.0944     -0.0989     -0.0402                                   
                                   35      H             0.0447     -0.0448      0.0614                                   
                                   36      H             0.0014      0.0438      0.0034                                   
                                   37      H             0.0666     -0.0656     -0.0305                                   
                                   38      H            -0.0577      0.0235     -0.1409                                   
                                   39      H            -0.0144     -0.0769      0.0626                                   
                                   40      H             0.0062     -0.0248      0.0630                                   
                                   41      H            -0.0539     -0.0545     -0.0421                                   
                                   42      H             0.0560     -0.1177     -0.0001                                   
                                   43      H             0.0834     -0.0960     -0.0569                                   
                                   44      H             0.0468      0.0341     -0.0362                                   
                                   45      H            -0.1729      0.1347     -0.0165                                   
                                   46      H             0.0829     -0.0830     -0.1200                                   
                                   47      H             0.0726     -0.0083     -0.0153                                   
                                   48      H             0.0013     -0.0038     -0.1299                                   
                                   49      H             0.0325      0.0412     -0.0565                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      23                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 416.85  cm**-1                                     
                                   Reduced mass:                       3.9118  amu                                        
                                   Force constant:                     0.4005  mdyne/A                                    
                                   IR intensity:                       1.4651  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0139     -0.0277     -0.0183                                   
                                   2       O             0.0670     -0.0347     -0.0043                                   
                                   3       O             0.1617     -0.0046      0.0287                                   
                                   4       C            -0.0719     -0.0265     -0.0377                                   
                                   5       C            -0.0134     -0.0646     -0.0053                                   
                                   6       C            -0.0293      0.0331      0.0117                                   
                                   7       C             0.0470      0.1249      0.0217                                   
                                   8       C            -0.0671      0.0213     -0.0281                                   
                                   9       C            -0.0246     -0.0811      0.0541                                   
                                   10      C            -0.0178     -0.0152      0.0093                                   
                                   11      C            -0.1070     -0.0383     -0.0533                                   
                                   12      C             0.0047     -0.0653      0.0196                                   
                                   13      C             0.0405      0.0090      0.0601                                   
                                   14      C            -0.0134     -0.0376      0.0438                                   
                                   15      C            -0.1066     -0.0491      0.0050                                   
                                   16      C            -0.0564      0.0012      0.0530                                   
                                   17      C             0.0406     -0.0206     -0.0249                                   
                                   18      C             0.0226     -0.1285     -0.0079                                   
                                   19      C             0.0245      0.1635     -0.0760                                   
                                   20      C             0.0266      0.0760     -0.0046                                   
                                   21      C             0.1509      0.1320     -0.0390                                   
                                   22      C            -0.0738      0.0884     -0.0510                                   
                                   23      C             0.0030     -0.0423      0.0346                                   
                                   24      H             0.0200     -0.0273      0.0005                                   
                                   25      H            -0.0290      0.0100      0.0089                                   
                                   26      H             0.1106      0.3551     -0.1168                                   
                                   27      H             0.1896      0.1145      0.2630                                   
                                   28      H            -0.0665      0.0938      0.0206                                   
                                   29      H            -0.0859      0.0501     -0.1089                                   
                                   30      H            -0.0981     -0.0254     -0.0518                                   
                                   31      H            -0.1168     -0.0362     -0.0648                                   
                                   32      H            -0.0393     -0.0917      0.0432                                   
                                   33      H             0.0219     -0.0605     -0.0528                                   
                                   34      H             0.0851     -0.0750      0.0474                                   
                                   35      H             0.1149      0.0903      0.1048                                   
                                   36      H            -0.0610     -0.0330      0.0424                                   
                                   37      H            -0.1951     -0.0358     -0.0023                                   
                                   38      H            -0.1332     -0.0835      0.0559                                   
                                   39      H            -0.0456     -0.0458      0.0533                                   
                                   40      H             0.0012      0.0686     -0.0303                                   
                                   41      H            -0.1028      0.0674      0.1251                                   
                                   42      H             0.0395     -0.0071     -0.0305                                   
                                   43      H             0.0590     -0.0275     -0.0060                                   
                                   44      H            -0.0326     -0.2022     -0.0982                                   
                                   45      H            -0.0789     -0.0287     -0.0577                                   
                                   46      H            -0.1483      0.1524     -0.0783                                   
                                   47      H            -0.2144      0.0951     -0.0693                                   
                                   48      H             0.0736     -0.0396     -0.0075                                   
                                   49      H            -0.0430     -0.1683      0.0896                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      24                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 434.14  cm**-1                                     
                                   Reduced mass:                       2.4454  amu                                        
                                   Force constant:                     0.2716  mdyne/A                                    
                                   IR intensity:                       5.8690  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0702      0.0261     -0.0613                                   
                                   2       O            -0.0185     -0.0060     -0.0193                                   
                                   3       O             0.0041      0.0153      0.0192                                   
                                   4       C            -0.0357     -0.0696     -0.0184                                   
                                   5       C             0.0011     -0.0605     -0.0003                                   
                                   6       C             0.0465     -0.0014      0.0489                                   
                                   7       C             0.0323     -0.0260      0.0118                                   
                                   8       C            -0.0428     -0.0592      0.0282                                   
                                   9       C             0.0079      0.0663     -0.0005                                   
                                   10      C             0.0312      0.0638      0.0284                                   
                                   11      C            -0.1017     -0.0931     -0.0332                                   
                                   12      C             0.0415     -0.0485      0.0316                                   
                                   13      C            -0.0291      0.0196     -0.0085                                   
                                   14      C            -0.0204      0.0694     -0.0275                                   
                                   15      C            -0.1163      0.1045     -0.0410                                   
                                   16      C            -0.0135     -0.0276      0.0186                                   
                                   17      C            -0.0043      0.0108     -0.0025                                   
                                   18      C             0.0422      0.0851      0.0246                                   
                                   19      C            -0.0058     -0.0104      0.0435                                   
                                   20      C             0.0480     -0.0254     -0.0668                                   
                                   21      C             0.0013     -0.0120      0.0340                                   
                                   22      C             0.0343      0.0012      0.0042                                   
                                   23      C             0.0316      0.0121     -0.0170                                   
                                   24      H            -0.0084     -0.0526     -0.0006                                   
                                   25      H             0.0592     -0.0301      0.0567                                   
                                   26      H             0.0708     -0.0121     -0.0307                                   
                                   27      H             0.0094     -0.0055      0.0728                                   
                                   28      H            -0.0326     -0.1914     -0.0602                                   
                                   29      H            -0.1289     -0.0879      0.1870                                   
                                   30      H            -0.1749     -0.2102     -0.0348                                   
                                   31      H            -0.0349     -0.0766      0.1228                                   
                                   32      H             0.0826      0.0253      0.0207                                   
                                   33      H             0.1006     -0.1000      0.0753                                   
                                   34      H            -0.1269      0.1731      0.0214                                   
                                   35      H            -0.0856     -0.0502     -0.1682                                   
                                   36      H             0.0230      0.0966     -0.0270                                   
                                   37      H            -0.2055      0.2114     -0.0466                                   
                                   38      H            -0.0526      0.0924      0.1202                                   
                                   39      H            -0.0043     -0.1147      0.0520                                   
                                   40      H             0.0345     -0.0118      0.0718                                   
                                   41      H            -0.0744     -0.0422     -0.0417                                   
                                   42      H            -0.0007     -0.0972      0.0370                                   
                                   43      H            -0.0713      0.0291     -0.0986                                   
                                   44      H             0.0809      0.1010     -0.0035                                   
                                   45      H            -0.1778      0.0303     -0.2114                                   
                                   46      H             0.0994     -0.0871     -0.1339                                   
                                   47      H             0.0707     -0.0071     -0.0159                                   
                                   48      H             0.2395     -0.1497      0.3641                                   
                                   49      H             0.0405      0.0173     -0.0437                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      25                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 447.30  cm**-1                                     
                                   Reduced mass:                       2.5922  amu                                        
                                   Force constant:                     0.3056  mdyne/A                                    
                                   IR intensity:                       4.5620  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0129      0.0083      0.0330                                   
                                   2       O             0.0292     -0.0116      0.0173                                   
                                   3       O            -0.0087     -0.0239     -0.0050                                   
                                   4       C            -0.0311     -0.0606      0.0127                                   
                                   5       C            -0.0143     -0.0989     -0.0071                                   
                                   6       C            -0.0446      0.0094     -0.0224                                   
                                   7       C             0.0303      0.0960      0.0543                                   
                                   8       C            -0.0045      0.0592     -0.0426                                   
                                   9       C            -0.0359     -0.0018     -0.0104                                   
                                   10      C            -0.0125     -0.0119     -0.0286                                   
                                   11      C             0.0560      0.0182     -0.0243                                   
                                   12      C             0.0290     -0.0984      0.0256                                   
                                   13      C             0.0231     -0.0286      0.0267                                   
                                   14      C             0.0504      0.0930     -0.0829                                   
                                   15      C             0.0406      0.1694     -0.0238                                   
                                   16      C            -0.0252     -0.0072     -0.0118                                   
                                   17      C            -0.0018     -0.0018     -0.0281                                   
                                   18      C            -0.0928      0.0187      0.0281                                   
                                   19      C             0.0257     -0.0426      0.0231                                   
                                   20      C            -0.0899     -0.0713     -0.0016                                   
                                   21      C            -0.0206     -0.0354      0.0245                                   
                                   22      C             0.0317     -0.0445      0.0350                                   
                                   23      C             0.0191     -0.0218     -0.0011                                   
                                   24      H            -0.0182     -0.1025     -0.0075                                   
                                   25      H            -0.0735      0.0107     -0.0450                                   
                                   26      H             0.0529      0.3579     -0.0543                                   
                                   27      H             0.1833      0.0822      0.2960                                   
                                   28      H             0.0574      0.2324      0.0803                                   
                                   29      H            -0.0161      0.1260     -0.2548                                   
                                   30      H             0.0534      0.0722     -0.0265                                   
                                   31      H             0.1695     -0.0524     -0.0445                                   
                                   32      H             0.0253     -0.0481      0.0405                                   
                                   33      H             0.0670     -0.1257      0.0272                                   
                                   34      H             0.0311     -0.0938      0.0331                                   
                                   35      H             0.0941      0.0466      0.0336                                   
                                   36      H             0.0927      0.1359     -0.0810                                   
                                   37      H            -0.0018      0.3326     -0.0256                                   
                                   38      H             0.0716      0.1340      0.1428                                   
                                   39      H            -0.0102     -0.0489     -0.0343                                   
                                   40      H             0.0265      0.0325     -0.0221                                   
                                   41      H            -0.0439      0.0291      0.0296                                   
                                   42      H            -0.0188      0.0337     -0.0342                                   
                                   43      H             0.0213     -0.0082     -0.0031                                   
                                   44      H            -0.0552      0.0418      0.0249                                   
                                   45      H             0.1120      0.0143      0.1068                                   
                                   46      H            -0.0843     -0.0836     -0.0274                                   
                                   47      H             0.0547     -0.0438      0.0454                                   
                                   48      H            -0.1392      0.0813     -0.2478                                   
                                   49      H             0.0307      0.0041     -0.0193                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      26                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 454.30  cm**-1                                     
                                   Reduced mass:                       2.5587  amu                                        
                                   Force constant:                     0.3111  mdyne/A                                    
                                   IR intensity:                       9.2926  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0224      0.0277      0.0579                                   
                                   2       O            -0.0173      0.0159      0.0358                                   
                                   3       O            -0.0563      0.0269      0.0135                                   
                                   4       C             0.0485     -0.0083      0.0400                                   
                                   5       C             0.0792     -0.0186      0.0190                                   
                                   6       C            -0.0544     -0.0233     -0.0503                                   
                                   7       C             0.0133      0.0537      0.0410                                   
                                   8       C             0.0633     -0.0247      0.0015                                   
                                   9       C             0.0841      0.0446     -0.0216                                   
                                   10      C             0.0033      0.0007     -0.0711                                   
                                   11      C            -0.0318     -0.0351     -0.0488                                   
                                   12      C             0.0009     -0.0931      0.0364                                   
                                   13      C            -0.0245     -0.0573      0.0232                                   
                                   14      C            -0.0242     -0.0413      0.0347                                   
                                   15      C            -0.0619     -0.0686      0.0009                                   
                                   16      C            -0.0482     -0.0259     -0.0105                                   
                                   17      C            -0.0417      0.0301     -0.0275                                   
                                   18      C             0.1103      0.0899     -0.0032                                   
                                   19      C            -0.0423      0.0059      0.0358                                   
                                   20      C             0.1084      0.0495     -0.0708                                   
                                   21      C            -0.0380      0.0070      0.0098                                   
                                   22      C            -0.0230      0.0139     -0.0205                                   
                                   23      C            -0.0301      0.0259     -0.0334                                   
                                   24      H             0.0461     -0.0129      0.0148                                   
                                   25      H            -0.1059     -0.0398     -0.0894                                   
                                   26      H            -0.0515      0.2159      0.0453                                   
                                   27      H             0.1243      0.0282      0.1347                                   
                                   28      H             0.1061     -0.0838     -0.0348                                   
                                   29      H             0.0860     -0.0452      0.0513                                   
                                   30      H            -0.0174      0.0645     -0.0509                                   
                                   31      H            -0.0697     -0.0429     -0.1371                                   
                                   32      H            -0.0266     -0.1739      0.0338                                   
                                   33      H            -0.0616     -0.0372     -0.0137                                   
                                   34      H            -0.0571     -0.0869      0.0471                                   
                                   35      H             0.0140     -0.0184     -0.0074                                   
                                   36      H            -0.0095     -0.0761      0.0337                                   
                                   37      H            -0.1213     -0.1114     -0.0046                                   
                                   38      H            -0.0347     -0.0488     -0.0016                                   
                                   39      H            -0.0716     -0.0934      0.1368                                   
                                   40      H            -0.0472     -0.0193     -0.0292                                   
                                   41      H            -0.1545     -0.0559     -0.1199                                   
                                   42      H            -0.0706      0.0943     -0.0389                                   
                                   43      H            -0.0268      0.0314      0.0120                                   
                                   44      H             0.0886      0.0903      0.0321                                   
                                   45      H             0.3199     -0.0054      0.2458                                   
                                   46      H             0.1897     -0.0056     -0.0733                                   
                                   47      H            -0.0048      0.0058     -0.0508                                   
                                   48      H            -0.2959      0.1702     -0.4011                                   
                                   49      H            -0.0214      0.0324     -0.0591                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      27                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 475.53  cm**-1                                     
                                   Reduced mass:                       1.4137  amu                                        
                                   Force constant:                     0.1883  mdyne/A                                    
                                   IR intensity:                      16.0136  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0106     -0.0252      0.0671                                   
                                   2       O            -0.0157      0.0115     -0.0319                                   
                                   3       O            -0.0296      0.0011      0.0026                                   
                                   4       C             0.0122      0.0179      0.0068                                   
                                   5       C             0.0349     -0.0076     -0.0107                                   
                                   6       C            -0.0587     -0.0182     -0.0324                                   
                                   7       C            -0.0082      0.0482      0.0046                                   
                                   8       C             0.0062      0.0195     -0.0148                                   
                                   9       C             0.0269     -0.0037     -0.0064                                   
                                   10      C            -0.0289     -0.0223     -0.0316                                   
                                   11      C             0.0306      0.0290      0.0029                                   
                                   12      C             0.0079     -0.0434      0.0039                                   
                                   13      C            -0.0047     -0.0524     -0.0034                                   
                                   14      C             0.0136     -0.0163      0.0106                                   
                                   15      C             0.0321     -0.0236      0.0097                                   
                                   16      C            -0.0095      0.0013     -0.0078                                   
                                   17      C             0.0093      0.0472      0.0036                                   
                                   18      C             0.0108      0.0185      0.0074                                   
                                   19      C            -0.0083     -0.0025      0.0123                                   
                                   20      C             0.0080      0.0100     -0.0187                                   
                                   21      C            -0.0220     -0.0005     -0.0012                                   
                                   22      C            -0.0133     -0.0075     -0.0041                                   
                                   23      C            -0.0195      0.0005     -0.0106                                   
                                   24      H             0.0341     -0.0071     -0.0105                                   
                                   25      H            -0.0690     -0.0285     -0.0414                                   
                                   26      H            -0.0365      0.1509     -0.0033                                   
                                   27      H             0.0714      0.0280      0.0568                                   
                                   28      H             0.0066      0.0643      0.0159                                   
                                   29      H             0.0422      0.0273     -0.0668                                   
                                   30      H             0.0582      0.0887      0.0029                                   
                                   31      H             0.0185      0.0130     -0.0638                                   
                                   32      H             0.0107     -0.0453      0.0012                                   
                                   33      H            -0.0216     -0.0258      0.0213                                   
                                   34      H             0.0110     -0.1208     -0.0002                                   
                                   35      H             0.0521      0.0106      0.0317                                   
                                   36      H             0.0153     -0.0283      0.0102                                   
                                   37      H             0.0550     -0.0612      0.0109                                   
                                   38      H             0.0175     -0.0166     -0.0399                                   
                                   39      H            -0.0168     -0.0019      0.0246                                   
                                   40      H            -0.0132      0.0064     -0.0308                                   
                                   41      H            -0.0294      0.0025     -0.0173                                   
                                   42      H             0.0298      0.1571     -0.0553                                   
                                   43      H             0.0324      0.0518      0.1278                                   
                                   44      H            -0.0039      0.0206      0.0375                                   
                                   45      H            -0.3607      0.2165     -0.2134                                   
                                   46      H             0.0259      0.0010     -0.0118                                   
                                   47      H            -0.0133     -0.0091     -0.0136                                   
                                   48      H             0.4165     -0.2321      0.5989                                   
                                   49      H            -0.0152      0.0084     -0.0192                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      28                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 506.43  cm**-1                                     
                                   Reduced mass:                       3.4980  amu                                        
                                   Force constant:                     0.5286  mdyne/A                                    
                                   IR intensity:                       0.4333  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0490      0.0521      0.0467                                   
                                   2       O            -0.0388      0.0168      0.0070                                   
                                   3       O             0.0170     -0.0117     -0.0745                                   
                                   4       C             0.0284      0.1073      0.0390                                   
                                   5       C             0.0657      0.0436      0.0349                                   
                                   6       C             0.0180     -0.1177     -0.0388                                   
                                   7       C             0.0600     -0.0353      0.0247                                   
                                   8       C             0.0667     -0.0249      0.0092                                   
                                   9       C             0.0265     -0.0250      0.0621                                   
                                   10      C             0.0303      0.0153     -0.0657                                   
                                   11      C            -0.0957      0.0901      0.0460                                   
                                   12      C             0.0222     -0.0060     -0.0224                                   
                                   13      C             0.0001     -0.1404     -0.0627                                   
                                   14      C            -0.0049      0.0218     -0.0734                                   
                                   15      C            -0.0798      0.0999     -0.0444                                   
                                   16      C            -0.0375     -0.0059      0.0817                                   
                                   17      C            -0.0372      0.0362     -0.0191                                   
                                   18      C            -0.0312     -0.1302     -0.1221                                   
                                   19      C             0.0169     -0.0314     -0.0937                                   
                                   20      C            -0.0344      0.0155      0.1413                                   
                                   21      C            -0.0022     -0.0009      0.0285                                   
                                   22      C            -0.0005      0.0119      0.0427                                   
                                   23      C             0.0007      0.0165      0.0270                                   
                                   24      H             0.1030      0.0078      0.0384                                   
                                   25      H            -0.0123     -0.0991     -0.0602                                   
                                   26      H            -0.0060      0.0423      0.0565                                   
                                   27      H             0.1767     -0.0857     -0.0123                                   
                                   28      H             0.0707     -0.1943     -0.1042                                   
                                   29      H             0.1336     -0.0987      0.2010                                   
                                   30      H            -0.1965     -0.0465      0.0394                                   
                                   31      H            -0.1066      0.1487      0.2034                                   
                                   32      H             0.0483     -0.0395     -0.0489                                   
                                   33      H            -0.0597      0.0381      0.0437                                   
                                   34      H            -0.0237     -0.1091     -0.0533                                   
                                   35      H            -0.0401     -0.1807     -0.0617                                   
                                   36      H            -0.0553      0.1020     -0.0723                                   
                                   37      H            -0.0615      0.2114     -0.0408                                   
                                   38      H            -0.1420      0.0287      0.0376                                   
                                   39      H            -0.0565     -0.0039      0.1533                                   
                                   40      H            -0.0567      0.0041      0.0118                                   
                                   41      H            -0.0875      0.0114      0.0761                                   
                                   42      H            -0.0591      0.0323     -0.0100                                   
                                   43      H            -0.0689      0.0506     -0.0346                                   
                                   44      H            -0.0636     -0.2500     -0.3464                                   
                                   45      H             0.0648      0.1570      0.0327                                   
                                   46      H            -0.0632      0.0221      0.1140                                   
                                   47      H            -0.0049      0.0300      0.1220                                   
                                   48      H            -0.0055     -0.0022      0.0491                                   
                                   49      H            -0.0055      0.0275      0.0581                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      29                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 523.94  cm**-1                                     
                                   Reduced mass:                       3.4460  amu                                        
                                   Force constant:                     0.5574  mdyne/A                                    
                                   IR intensity:                       2.6226  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0708     -0.0693     -0.0253                                   
                                   2       O             0.0147      0.0003     -0.0117                                   
                                   3       O            -0.0700      0.0015     -0.0826                                   
                                   4       C             0.0314     -0.0375     -0.0683                                   
                                   5       C             0.0756     -0.0177      0.0809                                   
                                   6       C            -0.0101      0.1139      0.0107                                   
                                   7       C            -0.0308      0.0629     -0.0866                                   
                                   8       C            -0.0245     -0.0075     -0.0086                                   
                                   9       C             0.0849      0.0267      0.0544                                   
                                   10      C            -0.0308     -0.0434      0.0455                                   
                                   11      C             0.0617     -0.0683     -0.0448                                   
                                   12      C            -0.0074     -0.0576      0.0458                                   
                                   13      C            -0.0071      0.1468      0.0768                                   
                                   14      C            -0.0007      0.0204     -0.0440                                   
                                   15      C             0.0348      0.0421     -0.0049                                   
                                   16      C            -0.0384     -0.0190      0.0891                                   
                                   17      C             0.0318     -0.0311      0.0385                                   
                                   18      C             0.0669     -0.0380     -0.1466                                   
                                   19      C            -0.0101     -0.0644     -0.0763                                   
                                   20      C             0.0664      0.0482      0.1095                                   
                                   21      C            -0.0618     -0.0288      0.0354                                   
                                   22      C            -0.0117     -0.0054      0.0367                                   
                                   23      C            -0.0388      0.0444      0.0040                                   
                                   24      H             0.0952      0.0743      0.0822                                   
                                   25      H             0.0370      0.0466      0.0431                                   
                                   26      H            -0.0135     -0.0551     -0.0652                                   
                                   27      H            -0.1521      0.1021     -0.1124                                   
                                   28      H            -0.0868      0.0334      0.0120                                   
                                   29      H            -0.0174      0.0024     -0.0447                                   
                                   30      H             0.0772     -0.1081     -0.0395                                   
                                   31      H             0.0911     -0.0706     -0.0049                                   
                                   32      H            -0.1005     -0.3131      0.0426                                   
                                   33      H            -0.0630      0.0407     -0.2202                                   
                                   34      H            -0.0445      0.1460      0.0962                                   
                                   35      H             0.0375      0.1869     -0.0029                                   
                                   36      H            -0.0672      0.0761     -0.0431                                   
                                   37      H            -0.0236      0.1483     -0.0089                                   
                                   38      H             0.1010      0.0449      0.1222                                   
                                   39      H            -0.0782     -0.0345      0.2552                                   
                                   40      H            -0.0905     -0.0398      0.0400                                   
                                   41      H            -0.1343     -0.0509     -0.0169                                   
                                   42      H             0.0597      0.0281      0.0035                                   
                                   43      H             0.0781     -0.0448      0.1053                                   
                                   44      H             0.0486     -0.1409     -0.3559                                   
                                   45      H            -0.1004     -0.1213     -0.0324                                   
                                   46      H             0.1555     -0.0072      0.1139                                   
                                   47      H             0.0276      0.0091      0.1116                                   
                                   48      H             0.0355     -0.0102      0.0438                                   
                                   49      H            -0.0307      0.0975      0.0203                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      30                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 527.58  cm**-1                                     
                                   Reduced mass:                       2.8356  amu                                        
                                   Force constant:                     0.4650  mdyne/A                                    
                                   IR intensity:                       3.9760  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0105     -0.0085     -0.0128                                   
                                   2       O             0.0255     -0.0147      0.0025                                   
                                   3       O            -0.0285      0.0063      0.0442                                   
                                   4       C             0.0151      0.0970     -0.0526                                   
                                   5       C             0.1071      0.0023     -0.0095                                   
                                   6       C            -0.0314      0.0179      0.0478                                   
                                   7       C            -0.0319      0.0187     -0.0815                                   
                                   8       C            -0.0246     -0.0021      0.0306                                   
                                   9       C             0.0923     -0.1271     -0.0004                                   
                                   10      C            -0.0120      0.0246      0.0383                                   
                                   11      C            -0.0142      0.0766      0.0311                                   
                                   12      C             0.0249     -0.0835      0.0310                                   
                                   13      C            -0.0293      0.0062      0.0226                                   
                                   14      C             0.0903     -0.0713     -0.1170                                   
                                   15      C             0.0097      0.0368     -0.0166                                   
                                   16      C             0.0087      0.0299     -0.0231                                   
                                   17      C             0.0169     -0.0043     -0.0025                                   
                                   18      C            -0.0209     -0.0372      0.1257                                   
                                   19      C            -0.0039      0.0395      0.0446                                   
                                   20      C            -0.0389     -0.0095     -0.0913                                   
                                   21      C            -0.0218      0.0457      0.0407                                   
                                   22      C            -0.0558      0.0112      0.0442                                   
                                   23      C            -0.0241     -0.0348     -0.0827                                   
                                   24      H             0.1134      0.0691     -0.0083                                   
                                   25      H             0.0013     -0.0291      0.0677                                   
                                   26      H            -0.0409     -0.1452     -0.0185                                   
                                   27      H            -0.0838      0.0057     -0.2516                                   
                                   28      H            -0.1208     -0.1675     -0.0905                                   
                                   29      H             0.0003     -0.0716      0.2386                                   
                                   30      H            -0.0484     -0.0414      0.0315                                   
                                   31      H            -0.0286      0.1191      0.1372                                   
                                   32      H            -0.0208     -0.2479      0.0184                                   
                                   33      H            -0.0967      0.0242     -0.0747                                   
                                   34      H            -0.1104      0.0961      0.0538                                   
                                   35      H            -0.0230      0.0040     -0.1241                                   
                                   36      H             0.1396     -0.0633     -0.1120                                   
                                   37      H             0.0230      0.2305     -0.0130                                   
                                   38      H            -0.1020     -0.0847      0.1192                                   
                                   39      H            -0.0349      0.1707      0.0374                                   
                                   40      H            -0.0831      0.0521     -0.2767                                   
                                   41      H            -0.0046      0.1432      0.1423                                   
                                   42      H             0.0260     -0.0317      0.0066                                   
                                   43      H             0.0109     -0.0048     -0.0270                                   
                                   44      H            -0.1095     -0.0567      0.2324                                   
                                   45      H             0.0352     -0.0935      0.0217                                   
                                   46      H            -0.1006     -0.0020     -0.1538                                   
                                   47      H            -0.1006      0.0092      0.0129                                   
                                   48      H            -0.0239      0.0116     -0.0941                                   
                                   49      H            -0.0075     -0.0658     -0.1683                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      31                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 561.01  cm**-1                                     
                                   Reduced mass:                       3.3220  amu                                        
                                   Force constant:                     0.6160  mdyne/A                                    
                                   IR intensity:                       3.4853  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0694     -0.0182      0.0190                                   
                                   2       O            -0.0615      0.0407     -0.0095                                   
                                   3       O             0.0156      0.0337      0.0573                                   
                                   4       C             0.0508     -0.0597      0.0715                                   
                                   5       C            -0.0479      0.0519      0.1020                                   
                                   6       C             0.0692      0.0114     -0.0928                                   
                                   7       C             0.0279     -0.0394      0.0650                                   
                                   8       C             0.1179     -0.0246     -0.0332                                   
                                   9       C            -0.0009     -0.0552     -0.0055                                   
                                   10      C             0.0324     -0.0912     -0.0663                                   
                                   11      C            -0.0106     -0.0949     -0.0508                                   
                                   12      C            -0.0582      0.1445     -0.0151                                   
                                   13      C             0.0187      0.0754      0.0066                                   
                                   14      C            -0.0157     -0.0421     -0.1398                                   
                                   15      C            -0.0494      0.0097     -0.0276                                   
                                   16      C            -0.0136      0.0069     -0.0188                                   
                                   17      C            -0.0155     -0.0180      0.0486                                   
                                   18      C             0.0317     -0.0457      0.0815                                   
                                   19      C            -0.0191      0.0149     -0.0218                                   
                                   20      C             0.0252     -0.0425     -0.0405                                   
                                   21      C             0.0196      0.0103      0.0456                                   
                                   22      C            -0.0243      0.0559      0.0799                                   
                                   23      C             0.0317     -0.0096     -0.1022                                   
                                   24      H            -0.0739      0.0312      0.0952                                   
                                   25      H             0.0238      0.0430     -0.1198                                   
                                   26      H            -0.0101     -0.0202      0.0931                                   
                                   27      H            -0.0390     -0.0053      0.1059                                   
                                   28      H             0.2044      0.1403      0.0860                                   
                                   29      H             0.1784      0.0285     -0.2483                                   
                                   30      H            -0.0660     -0.0965     -0.0546                                   
                                   31      H            -0.0117     -0.0778     -0.0072                                   
                                   32      H            -0.0840      0.0347     -0.0237                                   
                                   33      H            -0.0714      0.1734     -0.1151                                   
                                   34      H             0.0846     -0.0354     -0.0125                                   
                                   35      H            -0.0124      0.0515      0.1678                                   
                                   36      H             0.0002     -0.0201     -0.1321                                   
                                   37      H            -0.1966      0.3110     -0.0359                                   
                                   38      H            -0.0092     -0.0687      0.2959                                   
                                   39      H            -0.0362      0.0885      0.0067                                   
                                   40      H            -0.0617      0.0195     -0.1532                                   
                                   41      H            -0.0079      0.0716      0.0816                                   
                                   42      H            -0.0153      0.0869      0.0033                                   
                                   43      H             0.0173     -0.0199      0.1435                                   
                                   44      H             0.0248     -0.0386      0.1066                                   
                                   45      H            -0.0610      0.1373     -0.0124                                   
                                   46      H            -0.0125     -0.0387     -0.0808                                   
                                   47      H            -0.0192      0.0595      0.1015                                   
                                   48      H             0.0155      0.0024      0.1881                                   
                                   49      H             0.0434     -0.0581     -0.1850                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      32                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 592.25  cm**-1                                     
                                   Reduced mass:                       4.3269  amu                                        
                                   Force constant:                     0.8942  mdyne/A                                    
                                   IR intensity:                       2.4681  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0557      0.0184     -0.0101                                   
                                   2       O             0.0395     -0.0265      0.0062                                   
                                   3       O            -0.0793      0.0882      0.1420                                   
                                   4       C            -0.0825     -0.0237     -0.0192                                   
                                   5       C            -0.0632     -0.0145     -0.0393                                   
                                   6       C            -0.0220     -0.0353      0.0443                                   
                                   7       C            -0.0002     -0.0094      0.0187                                   
                                   8       C            -0.1140      0.0149     -0.0034                                   
                                   9       C            -0.0365     -0.0073      0.0356                                   
                                   10      C            -0.0274      0.0622      0.0307                                   
                                   11      C             0.0557      0.0497      0.0348                                   
                                   12      C            -0.0020      0.0115     -0.0330                                   
                                   13      C             0.0059     -0.0645     -0.0309                                   
                                   14      C            -0.0591      0.0161     -0.0243                                   
                                   15      C             0.0711      0.0016      0.0338                                   
                                   16      C            -0.0044      0.0071      0.0623                                   
                                   17      C            -0.0006      0.0249     -0.0485                                   
                                   18      C             0.1311     -0.0913     -0.0106                                   
                                   19      C            -0.0270     -0.0452     -0.1433                                   
                                   20      C             0.1290     -0.0389      0.0307                                   
                                   21      C             0.0069     -0.0621     -0.0492                                   
                                   22      C            -0.0622      0.0792      0.1775                                   
                                   23      C             0.0187      0.0066     -0.2470                                   
                                   24      H            -0.0302     -0.0412     -0.0326                                   
                                   25      H            -0.0078     -0.0060      0.0540                                   
                                   26      H             0.0662      0.1192     -0.0840                                   
                                   27      H             0.1080     -0.0265      0.1414                                   
                                   28      H            -0.1090      0.0096     -0.0063                                   
                                   29      H            -0.1951      0.0275      0.0151                                   
                                   30      H             0.1449      0.1448      0.0389                                   
                                   31      H             0.0807     -0.0105     -0.0992                                   
                                   32      H             0.0597      0.1865     -0.0289                                   
                                   33      H             0.0806     -0.0751      0.1108                                   
                                   34      H             0.0555     -0.0628     -0.0590                                   
                                   35      H             0.0025     -0.0640      0.0197                                   
                                   36      H            -0.1838      0.0504     -0.0217                                   
                                   37      H             0.1912     -0.0556      0.0412                                   
                                   38      H             0.0557      0.0319     -0.0890                                   
                                   39      H             0.0118      0.0000      0.0085                                   
                                   40      H             0.0204      0.0131      0.0938                                   
                                   41      H             0.0282      0.0085      0.0837                                   
                                   42      H            -0.0087     -0.0501     -0.0136                                   
                                   43      H            -0.0258      0.0268     -0.1147                                   
                                   44      H             0.1709     -0.0630     -0.0251                                   
                                   45      H             0.0253     -0.0675     -0.0079                                   
                                   46      H             0.1584     -0.0277      0.1045                                   
                                   47      H            -0.0243      0.1050      0.3058                                   
                                   48      H             0.0088     -0.0134     -0.1052                                   
                                   49      H             0.0476     -0.0194     -0.3724                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      33                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 604.83  cm**-1                                     
                                   Reduced mass:                       5.2628  amu                                        
                                   Force constant:                     1.1343  mdyne/A                                    
                                   IR intensity:                       1.0871  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0302     -0.0130      0.0050                                   
                                   2       O            -0.0169      0.0116     -0.0026                                   
                                   3       O             0.0336     -0.0425      0.1939                                   
                                   4       C             0.0662      0.0321     -0.0048                                   
                                   5       C             0.0676     -0.0014      0.0091                                   
                                   6       C            -0.0036      0.0298     -0.0172                                   
                                   7       C            -0.0034      0.0280     -0.0397                                   
                                   8       C             0.0675     -0.0023      0.0191                                   
                                   9       C             0.0167      0.1007     -0.0122                                   
                                   10      C             0.0103     -0.0270     -0.0065                                   
                                   11      C            -0.0507     -0.0355     -0.0286                                   
                                   12      C             0.0226     -0.0554      0.0300                                   
                                   13      C            -0.0031      0.0291      0.0183                                   
                                   14      C             0.0155      0.0090      0.0970                                   
                                   15      C            -0.0623     -0.0494      0.0088                                   
                                   16      C            -0.0115     -0.0046     -0.0094                                   
                                   17      C             0.0035     -0.0148      0.0267                                   
                                   18      C            -0.1917      0.1624     -0.1209                                   
                                   19      C             0.1168     -0.0445     -0.1287                                   
                                   20      C            -0.1790      0.1040     -0.0024                                   
                                   21      C             0.0240      0.0140     -0.1390                                   
                                   22      C             0.0461     -0.0302      0.1883                                   
                                   23      C             0.1282     -0.1427     -0.1536                                   
                                   24      H             0.0543      0.0231      0.0059                                   
                                   25      H             0.0042     -0.0039     -0.0124                                   
                                   26      H            -0.0586     -0.0768      0.0444                                   
                                   27      H            -0.0715      0.0319     -0.1490                                   
                                   28      H             0.0362     -0.0466     -0.0140                                   
                                   29      H             0.1186     -0.0283      0.0652                                   
                                   30      H            -0.0694     -0.0676     -0.0281                                   
                                   31      H            -0.1061      0.0085      0.0073                                   
                                   32      H            -0.0132     -0.1482      0.0287                                   
                                   33      H            -0.0324     -0.0035     -0.0386                                   
                                   34      H            -0.0549      0.0444      0.0449                                   
                                   35      H             0.0204      0.0487     -0.0590                                   
                                   36      H            -0.0671     -0.0318      0.0950                                   
                                   37      H            -0.1201     -0.2007      0.0023                                   
                                   38      H            -0.0295     -0.0012     -0.0715                                   
                                   39      H            -0.0064     -0.0919      0.0376                                   
                                   40      H             0.0019     -0.0454      0.1360                                   
                                   41      H            -0.0471     -0.1091     -0.1892                                   
                                   42      H             0.0106      0.0234      0.0081                                   
                                   43      H             0.0188     -0.0167      0.0611                                   
                                   44      H            -0.2168      0.1431     -0.1089                                   
                                   45      H            -0.0144      0.0183      0.0068                                   
                                   46      H            -0.1982      0.1497      0.0527                                   
                                   47      H            -0.0412      0.0043      0.3110                                   
                                   48      H            -0.0063      0.0077      0.0453                                   
                                   49      H             0.1517     -0.1413     -0.2311                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      34                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 628.27  cm**-1                                     
                                   Reduced mass:                       3.5923  amu                                        
                                   Force constant:                     0.8354  mdyne/A                                    
                                   IR intensity:                       2.8253  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0278      0.0193     -0.0196                                   
                                   2       O            -0.0366      0.0224     -0.0159                                   
                                   3       O            -0.0542      0.0137      0.0521                                   
                                   4       C            -0.1276      0.0034      0.0114                                   
                                   5       C            -0.0197     -0.0563      0.1117                                   
                                   6       C             0.1300     -0.0063     -0.0222                                   
                                   7       C             0.0399     -0.0461      0.0337                                   
                                   8       C            -0.0320     -0.0703     -0.1814                                   
                                   9       C             0.0323     -0.0281     -0.0110                                   
                                   10      C             0.0714     -0.0668     -0.0489                                   
                                   11      C            -0.0583      0.1715      0.0971                                   
                                   12      C             0.0286     -0.0364      0.0334                                   
                                   13      C             0.0322      0.0695      0.0265                                   
                                   14      C             0.0439      0.0120      0.0503                                   
                                   15      C            -0.0143      0.0635     -0.0015                                   
                                   16      C            -0.0128     -0.0191     -0.0287                                   
                                   17      C             0.0183     -0.0513      0.0743                                   
                                   18      C             0.0289     -0.0274     -0.0516                                   
                                   19      C            -0.0101      0.0181      0.1080                                   
                                   20      C             0.0320      0.0368      0.0014                                   
                                   21      C             0.0064     -0.0293     -0.1455                                   
                                   22      C            -0.0059     -0.0275     -0.0319                                   
                                   23      C            -0.0264      0.0001     -0.0203                                   
                                   24      H            -0.0354     -0.0726      0.1037                                   
                                   25      H             0.0593      0.0049     -0.0718                                   
                                   26      H             0.1722     -0.0238     -0.0995                                   
                                   27      H             0.0252     -0.0188      0.1429                                   
                                   28      H             0.0084      0.0146     -0.1179                                   
                                   29      H             0.0074     -0.0522     -0.2582                                   
                                   30      H            -0.0353      0.2168      0.0927                                   
                                   31      H            -0.0091      0.1203      0.0376                                   
                                   32      H            -0.0627     -0.2680      0.0335                                   
                                   33      H            -0.0219      0.0472     -0.2082                                   
                                   34      H            -0.1074      0.2298      0.0762                                   
                                   35      H            -0.0660     -0.0449     -0.1493                                   
                                   36      H             0.1129      0.0019      0.0454                                   
                                   37      H             0.1884     -0.1288      0.0126                                   
                                   38      H            -0.1577      0.0495     -0.2663                                   
                                   39      H            -0.0306     -0.0360      0.0550                                   
                                   40      H            -0.0301     -0.0164     -0.0733                                   
                                   41      H            -0.0643     -0.0198     -0.0610                                   
                                   42      H             0.0244     -0.0475      0.0670                                   
                                   43      H             0.0121     -0.0490      0.0606                                   
                                   44      H             0.0218      0.0543      0.1476                                   
                                   45      H             0.0268      0.1085     -0.0068                                   
                                   46      H             0.0320      0.1157      0.1820                                   
                                   47      H            -0.0125     -0.0339     -0.0687                                   
                                   48      H            -0.0358      0.0277      0.0738                                   
                                   49      H            -0.0088      0.0145     -0.0703                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      35                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 640.70  cm**-1                                     
                                   Reduced mass:                       4.4944  amu                                        
                                   Force constant:                     1.0870  mdyne/A                                    
                                   IR intensity:                       1.0004  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0209     -0.0011     -0.0098                                   
                                   2       O             0.0190     -0.0114     -0.0005                                   
                                   3       O             0.0218     -0.0694     -0.0934                                   
                                   4       C            -0.1240     -0.0332      0.0008                                   
                                   5       C            -0.0301     -0.0004      0.0996                                   
                                   6       C             0.0705     -0.0346      0.0015                                   
                                   7       C             0.0356     -0.0544      0.0432                                   
                                   8       C            -0.1303     -0.0263     -0.0866                                   
                                   9       C             0.0751      0.0133     -0.0014                                   
                                   10      C            -0.0143      0.0111     -0.0096                                   
                                   11      C            -0.0150      0.0612      0.0544                                   
                                   12      C            -0.0063      0.0683     -0.0151                                   
                                   13      C             0.0265      0.0053     -0.0147                                   
                                   14      C             0.0497     -0.0892     -0.0624                                   
                                   15      C             0.0228     -0.0848      0.0550                                   
                                   16      C            -0.0174      0.0055      0.0074                                   
                                   17      C            -0.0050      0.0161     -0.0284                                   
                                   18      C            -0.0274      0.1944      0.0474                                   
                                   19      C             0.0801     -0.0539     -0.1805                                   
                                   20      C            -0.0221      0.0856     -0.0799                                   
                                   21      C            -0.0788      0.0947      0.2526                                   
                                   22      C             0.0226     -0.0206      0.0785                                   
                                   23      C             0.0267     -0.0362      0.0322                                   
                                   24      H            -0.0339     -0.0357      0.0940                                   
                                   25      H             0.0571      0.0086     -0.0048                                   
                                   26      H             0.1544      0.0993     -0.1187                                   
                                   27      H             0.1190     -0.0460      0.2434                                   
                                   28      H            -0.0992      0.0133     -0.0559                                   
                                   29      H            -0.1744     -0.0053     -0.1167                                   
                                   30      H             0.0990      0.1936      0.0586                                   
                                   31      H            -0.0341      0.0068     -0.1342                                   
                                   32      H            -0.0136     -0.0232     -0.0331                                   
                                   33      H            -0.0387      0.0995     -0.0689                                   
                                   34      H             0.0247      0.0542     -0.0229                                   
                                   35      H            -0.0509     -0.0737      0.0060                                   
                                   36      H            -0.0751     -0.1577     -0.0538                                   
                                   37      H             0.1686     -0.1353      0.0634                                   
                                   38      H            -0.1051     -0.1269     -0.0824                                   
                                   39      H            -0.0532      0.0166      0.1401                                   
                                   40      H            -0.0567      0.0156     -0.0998                                   
                                   41      H            -0.0911      0.0250     -0.0065                                   
                                   42      H            -0.0146     -0.0061     -0.0163                                   
                                   43      H            -0.0136      0.0163     -0.0525                                   
                                   44      H            -0.0932      0.0159     -0.2456                                   
                                   45      H             0.0018     -0.0255     -0.0151                                   
                                   46      H             0.0680     -0.0843     -0.3364                                   
                                   47      H            -0.0253     -0.0080      0.1159                                   
                                   48      H             0.0131     -0.0103     -0.0422                                   
                                   49      H             0.0162      0.0224      0.1206                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      36                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 654.46  cm**-1                                     
                                   Reduced mass:                       3.9097  amu                                        
                                   Force constant:                     0.9866  mdyne/A                                    
                                   IR intensity:                       5.7866  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0276     -0.0576      0.0184                                   
                                   2       O             0.0578     -0.0329      0.0191                                   
                                   3       O            -0.0613     -0.0282      0.0450                                   
                                   4       C            -0.0208     -0.0446      0.0041                                   
                                   5       C             0.0017      0.0539      0.1203                                   
                                   6       C             0.0239     -0.0411     -0.0150                                   
                                   7       C             0.0545     -0.0549      0.0236                                   
                                   8       C            -0.1169      0.0387      0.0768                                   
                                   9       C             0.0890     -0.0285      0.0111                                   
                                   10      C            -0.1093      0.0567      0.0062                                   
                                   11      C             0.0232     -0.0818     -0.0359                                   
                                   12      C            -0.0350      0.1543     -0.0369                                   
                                   13      C             0.0132     -0.0156     -0.0346                                   
                                   14      C             0.1082     -0.0371     -0.0097                                   
                                   15      C             0.0358      0.0163     -0.0253                                   
                                   16      C            -0.0169     -0.0121      0.0381                                   
                                   17      C            -0.0472      0.0965     -0.1430                                   
                                   18      C            -0.0191      0.0008     -0.0860                                   
                                   19      C             0.0242      0.0188      0.1512                                   
                                   20      C            -0.0185      0.1197     -0.0070                                   
                                   21      C            -0.0140     -0.0016     -0.1680                                   
                                   22      C             0.0251     -0.0708     -0.0290                                   
                                   23      C            -0.0133     -0.0317      0.0113                                   
                                   24      H             0.0080      0.0280      0.1158                                   
                                   25      H             0.0918     -0.0065      0.0405                                   
                                   26      H             0.0588      0.1207     -0.0390                                   
                                   27      H             0.1463     -0.0574      0.1841                                   
                                   28      H            -0.0969      0.0170      0.0625                                   
                                   29      H            -0.1673      0.0443      0.0904                                   
                                   30      H            -0.0510     -0.2086     -0.0351                                   
                                   31      H             0.0782     -0.0596      0.1206                                   
                                   32      H             0.0023      0.0686     -0.0807                                   
                                   33      H            -0.1034      0.1959     -0.0212                                   
                                   34      H             0.1116     -0.0866     -0.0778                                   
                                   35      H            -0.0354     -0.0542      0.1465                                   
                                   36      H             0.2281     -0.0183     -0.0108                                   
                                   37      H            -0.0844      0.1857     -0.0310                                   
                                   38      H             0.0503     -0.0440      0.1878                                   
                                   39      H            -0.0665      0.0064      0.2164                                   
                                   40      H            -0.0805     -0.0137     -0.0875                                   
                                   41      H            -0.1134     -0.0003     -0.0024                                   
                                   42      H            -0.0768      0.1315     -0.1430                                   
                                   43      H            -0.0323      0.0939     -0.1005                                   
                                   44      H            -0.1083      0.0033      0.0695                                   
                                   45      H            -0.0553     -0.1475     -0.0108                                   
                                   46      H            -0.0328      0.1823      0.1159                                   
                                   47      H            -0.0031     -0.0771     -0.0758                                   
                                   48      H             0.0694     -0.0493     -0.1106                                   
                                   49      H             0.0230      0.0140     -0.0766                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      37                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 685.03  cm**-1                                     
                                   Reduced mass:                       3.3685  amu                                        
                                   Force constant:                     0.9313  mdyne/A                                    
                                   IR intensity:                      11.5051  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0391      0.1269     -0.0414                                   
                                   2       O            -0.0383      0.0183     -0.0276                                   
                                   3       O            -0.0470     -0.0313      0.0043                                   
                                   4       C            -0.0379     -0.0227     -0.0392                                   
                                   5       C            -0.0171      0.0198     -0.0410                                   
                                   6       C            -0.1114      0.0001      0.0299                                   
                                   7       C            -0.1033      0.0591      0.0174                                   
                                   8       C             0.0089     -0.0343     -0.0753                                   
                                   9       C             0.0490     -0.0222      0.0229                                   
                                   10      C             0.1162      0.0053      0.0548                                   
                                   11      C             0.0171     -0.0385     -0.0299                                   
                                   12      C            -0.0532      0.0577     -0.0477                                   
                                   13      C            -0.0431     -0.0764     -0.0383                                   
                                   14      C             0.0766     -0.0448     -0.0274                                   
                                   15      C             0.0220     -0.0092     -0.0228                                   
                                   16      C             0.0007      0.0083      0.0835                                   
                                   17      C             0.0858     -0.1307      0.1855                                   
                                   18      C             0.0107      0.0187     -0.0313                                   
                                   19      C             0.0331     -0.0050      0.0429                                   
                                   20      C             0.0118      0.1104     -0.0177                                   
                                   21      C            -0.0298      0.0213     -0.0473                                   
                                   22      C             0.0215     -0.0477      0.0051                                   
                                   23      C            -0.0043     -0.0212      0.0096                                   
                                   24      H             0.0272      0.0106     -0.0310                                   
                                   25      H            -0.1853      0.0439     -0.0285                                   
                                   26      H            -0.0747      0.1525     -0.0363                                   
                                   27      H            -0.0340      0.0496      0.1102                                   
                                   28      H            -0.0188     -0.0382     -0.0784                                   
                                   29      H            -0.0716     -0.0269     -0.0345                                   
                                   30      H            -0.0111     -0.0605     -0.0310                                   
                                   31      H             0.0467     -0.0427      0.0072                                   
                                   32      H             0.0801      0.2978     -0.0733                                   
                                   33      H            -0.0007     -0.0352      0.2297                                   
                                   34      H             0.1566     -0.2748     -0.1140                                   
                                   35      H             0.0539      0.0401      0.2186                                   
                                   36      H             0.1251     -0.0162     -0.0266                                   
                                   37      H            -0.0657      0.1390     -0.0265                                   
                                   38      H             0.0080     -0.0720      0.1411                                   
                                   39      H            -0.0203      0.0390      0.1400                                   
                                   40      H            -0.0261      0.0139      0.0128                                   
                                   41      H            -0.0279      0.0295      0.0998                                   
                                   42      H             0.1340     -0.3201      0.2403                                   
                                   43      H             0.0333     -0.1305      0.0161                                   
                                   44      H            -0.0763     -0.0586     -0.0703                                   
                                   45      H             0.0921      0.1319     -0.0091                                   
                                   46      H             0.0152      0.0915     -0.0499                                   
                                   47      H            -0.0031     -0.0473     -0.0084                                   
                                   48      H            -0.0791      0.0518      0.0622                                   
                                   49      H             0.0221      0.0330     -0.0367                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      38                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 744.40  cm**-1                                     
                                   Reduced mass:                       2.6427  amu                                        
                                   Force constant:                     0.8628  mdyne/A                                    
                                   IR intensity:                       7.3236  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0238     -0.0387      0.0141                                   
                                   2       O            -0.0079      0.0045      0.0137                                   
                                   3       O            -0.0613     -0.0409      0.0004                                   
                                   4       C             0.0103      0.0016      0.0291                                   
                                   5       C            -0.0586     -0.0381     -0.1960                                   
                                   6       C             0.0371      0.0141      0.0481                                   
                                   7       C             0.0277     -0.0180      0.0433                                   
                                   8       C             0.0585     -0.0300     -0.0007                                   
                                   9       C            -0.0410     -0.0318      0.0149                                   
                                   10      C            -0.0016     -0.0318     -0.0417                                   
                                   11      C            -0.0165      0.0426      0.0198                                   
                                   12      C            -0.0304     -0.0354     -0.0145                                   
                                   13      C            -0.0138      0.0601      0.0706                                   
                                   14      C             0.0402     -0.0302     -0.0173                                   
                                   15      C            -0.0114      0.0074     -0.0224                                   
                                   16      C             0.0039      0.0094      0.0978                                   
                                   17      C            -0.0409      0.0466     -0.0705                                   
                                   18      C             0.0464      0.0125      0.0514                                   
                                   19      C             0.0330     -0.0161      0.0084                                   
                                   20      C             0.0467      0.1478     -0.0029                                   
                                   21      C            -0.0313      0.0207     -0.0517                                   
                                   22      C             0.0396     -0.0451      0.0126                                   
                                   23      C             0.0049     -0.0073      0.0517                                   
                                   24      H            -0.0585     -0.0623     -0.1838                                   
                                   25      H             0.0184     -0.0420      0.0310                                   
                                   26      H             0.0216     -0.1908      0.1023                                   
                                   27      H            -0.0748     -0.0089     -0.1101                                   
                                   28      H             0.1199      0.0919      0.0862                                   
                                   29      H             0.0999      0.0105     -0.1597                                   
                                   30      H            -0.0495      0.0670      0.0129                                   
                                   31      H            -0.0063      0.0335      0.0137                                   
                                   32      H            -0.0571      0.1876      0.0625                                   
                                   33      H             0.1343     -0.1593      0.0460                                   
                                   34      H            -0.0383      0.1611      0.0627                                   
                                   35      H            -0.0488      0.0157     -0.0170                                   
                                   36      H             0.0740     -0.0005     -0.0176                                   
                                   37      H            -0.0120      0.0878     -0.0204                                   
                                   38      H            -0.0783     -0.0569      0.0330                                   
                                   39      H             0.0439      0.0269     -0.0683                                   
                                   40      H             0.0631      0.0467      0.1070                                   
                                   41      H             0.0825      0.0728      0.2367                                   
                                   42      H            -0.0706      0.1432     -0.0962                                   
                                   43      H            -0.0272      0.0525      0.0126                                   
                                   44      H            -0.0442     -0.2216     -0.3569                                   
                                   45      H            -0.0023      0.0109      0.0149                                   
                                   46      H             0.0185      0.0322     -0.2908                                   
                                   47      H             0.0185     -0.0400      0.0238                                   
                                   48      H             0.0091     -0.0073      0.0061                                   
                                   49      H             0.1158     -0.0008     -0.3343                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      39                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 749.04  cm**-1                                     
                                   Reduced mass:                       1.3389  amu                                        
                                   Force constant:                     0.4426  mdyne/A                                    
                                   IR intensity:                       7.9194  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0043     -0.0066      0.0026                                   
                                   2       O            -0.0022      0.0012      0.0028                                   
                                   3       O            -0.0258     -0.0047     -0.0019                                   
                                   4       C             0.0021     -0.0029      0.0055                                   
                                   5       C            -0.0102     -0.0073     -0.0416                                   
                                   6       C             0.0059      0.0024      0.0094                                   
                                   7       C             0.0047     -0.0058      0.0147                                   
                                   8       C             0.0134     -0.0068      0.0018                                   
                                   9       C             0.0001     -0.0145      0.0016                                   
                                   10      C             0.0010     -0.0069     -0.0089                                   
                                   11      C            -0.0045      0.0046     -0.0066                                   
                                   12      C            -0.0106      0.0028     -0.0052                                   
                                   13      C            -0.0062      0.0138      0.0155                                   
                                   14      C             0.0326      0.0041      0.0383                                   
                                   15      C            -0.0039      0.0208     -0.0139                                   
                                   16      C             0.0018     -0.0012      0.0081                                   
                                   17      C            -0.0081      0.0087     -0.0137                                   
                                   18      C             0.0147     -0.0247      0.0015                                   
                                   19      C             0.0216     -0.0006      0.0052                                   
                                   20      C             0.0127      0.0274     -0.0146                                   
                                   21      C            -0.0154      0.0208      0.0185                                   
                                   22      C            -0.0032     -0.0179      0.0164                                   
                                   23      C             0.0137     -0.0335     -0.1283                                   
                                   24      H            -0.0112     -0.0130     -0.0389                                   
                                   25      H            -0.0011     -0.0079      0.0037                                   
                                   26      H             0.0000     -0.0358      0.0282                                   
                                   27      H            -0.0170     -0.0027     -0.0119                                   
                                   28      H             0.0290      0.0213      0.0219                                   
                                   29      H             0.0205      0.0030     -0.0346                                   
                                   30      H            -0.0465     -0.0338     -0.0092                                   
                                   31      H             0.0203      0.0096      0.0514                                   
                                   32      H            -0.0115      0.0504      0.0084                                   
                                   33      H             0.0190     -0.0217      0.0144                                   
                                   34      H            -0.0004      0.0241      0.0096                                   
                                   35      H            -0.0132      0.0057      0.0142                                   
                                   36      H             0.0518      0.0135      0.0335                                   
                                   37      H            -0.0404      0.0082     -0.0159                                   
                                   38      H            -0.0072      0.0137     -0.0011                                   
                                   39      H             0.0094     -0.0011     -0.0199                                   
                                   40      H             0.0121      0.0035      0.0139                                   
                                   41      H             0.0161      0.0058      0.0264                                   
                                   42      H            -0.0142      0.0279     -0.0187                                   
                                   43      H            -0.0054      0.0099      0.0033                                   
                                   44      H            -0.0090     -0.0157      0.0574                                   
                                   45      H             0.0014      0.0046      0.0033                                   
                                   46      H            -0.0004      0.0490      0.0208                                   
                                   47      H            -0.0224     -0.0139      0.0221                                   
                                   48      H             0.0011     -0.0010      0.0025                                   
                                   49      H            -0.2097      0.2569      0.9077                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      40                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 778.30  cm**-1                                     
                                   Reduced mass:                       2.7946  amu                                        
                                   Force constant:                     0.9974  mdyne/A                                    
                                   IR intensity:                       3.3141  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0069     -0.0109      0.0021                                   
                                   2       O            -0.0015      0.0002      0.0037                                   
                                   3       O             0.0648     -0.0036      0.0111                                   
                                   4       C             0.0011      0.0137      0.0082                                   
                                   5       C            -0.0342     -0.0236     -0.0281                                   
                                   6       C             0.0199      0.0114      0.0163                                   
                                   7       C             0.0193      0.0177     -0.0285                                   
                                   8       C             0.0117     -0.0092     -0.0074                                   
                                   9       C            -0.0182      0.0390     -0.0066                                   
                                   10      C            -0.0009     -0.0046     -0.0034                                   
                                   11      C            -0.0069      0.0298      0.0535                                   
                                   12      C            -0.0097     -0.0492     -0.0063                                   
                                   13      C             0.0026      0.0066      0.0039                                   
                                   14      C            -0.0428     -0.0740     -0.1937                                   
                                   15      C             0.0075     -0.0895      0.0177                                   
                                   16      C             0.0017      0.0296      0.1877                                   
                                   17      C            -0.0099      0.0127     -0.0186                                   
                                   18      C            -0.0402      0.0702     -0.1478                                   
                                   19      C            -0.0750      0.0249      0.0867                                   
                                   20      C            -0.0138     -0.0432     -0.0333                                   
                                   21      C             0.0103     -0.0215      0.0056                                   
                                   22      C             0.0114      0.0534     -0.0117                                   
                                   23      C             0.0574     -0.0152     -0.0057                                   
                                   24      H            -0.0233     -0.0295     -0.0246                                   
                                   25      H             0.0473     -0.0248      0.0348                                   
                                   26      H             0.0337     -0.0721     -0.0152                                   
                                   27      H            -0.0203      0.0186     -0.0944                                   
                                   28      H             0.0163      0.0136      0.0086                                   
                                   29      H             0.0244     -0.0033     -0.0338                                   
                                   30      H             0.1101      0.2058      0.0542                                   
                                   31      H            -0.1023      0.0066     -0.1771                                   
                                   32      H             0.0289      0.0909      0.0042                                   
                                   33      H             0.0764     -0.1251      0.0751                                   
                                   34      H             0.0247      0.0223     -0.0122                                   
                                   35      H             0.0146      0.0175     -0.0039                                   
                                   36      H             0.0085     -0.0603     -0.1745                                   
                                   37      H             0.1322      0.1599      0.0291                                   
                                   38      H            -0.0983     -0.1943      0.1285                                   
                                   39      H            -0.0070      0.0045      0.2284                                   
                                   40      H            -0.0000      0.0189      0.2108                                   
                                   41      H            -0.0391      0.0137      0.1375                                   
                                   42      H            -0.0178      0.0276     -0.0210                                   
                                   43      H            -0.0065      0.0128     -0.0054                                   
                                   44      H             0.0577      0.3375      0.3143                                   
                                   45      H            -0.0047     -0.0082      0.0024                                   
                                   46      H             0.0808      0.0738      0.3485                                   
                                   47      H             0.0655      0.0148     -0.1473                                   
                                   48      H             0.0034     -0.0035     -0.0036                                   
                                   49      H            -0.0056     -0.0381      0.1966                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      41                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 779.34  cm**-1                                     
                                   Reduced mass:                       1.9036  amu                                        
                                   Force constant:                     0.6812  mdyne/A                                    
                                   IR intensity:                       6.1760  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0041      0.0058     -0.0022                                   
                                   2       O             0.0038     -0.0017     -0.0036                                   
                                   3       O             0.0199      0.0019      0.0276                                   
                                   4       C            -0.0001      0.0063     -0.0015                                   
                                   5       C             0.0038      0.0093      0.0512                                   
                                   6       C            -0.0036     -0.0036     -0.0207                                   
                                   7       C            -0.0049      0.0065     -0.0262                                   
                                   8       C            -0.0151      0.0138      0.0037                                   
                                   9       C            -0.0235      0.0153     -0.0008                                   
                                   10      C            -0.0047      0.0094      0.0097                                   
                                   11      C             0.0068     -0.0032      0.0217                                   
                                   12      C             0.0177     -0.0123      0.0127                                   
                                   13      C             0.0117     -0.0183     -0.0189                                   
                                   14      C            -0.0545     -0.0172     -0.0879                                   
                                   15      C             0.0076     -0.0405      0.0170                                   
                                   16      C            -0.0034     -0.0041     -0.0271                                   
                                   17      C             0.0096     -0.0101      0.0169                                   
                                   18      C            -0.0095      0.0812      0.0832                                   
                                   19      C            -0.0645      0.0144      0.0858                                   
                                   20      C            -0.0064      0.0121      0.1061                                   
                                   21      C             0.0333     -0.0588     -0.1103                                   
                                   22      C             0.0132      0.0309     -0.0238                                   
                                   23      C             0.0411     -0.0051     -0.0340                                   
                                   24      H             0.0003      0.0124      0.0464                                   
                                   25      H             0.0080      0.0083     -0.0110                                   
                                   26      H             0.0018      0.0416     -0.0430                                   
                                   27      H             0.0225      0.0015      0.0008                                   
                                   28      H            -0.0354     -0.0262     -0.0249                                   
                                   29      H            -0.0214     -0.0001      0.0521                                   
                                   30      H             0.0846      0.0845      0.0249                                   
                                   31      H            -0.0425     -0.0153     -0.1005                                   
                                   32      H            -0.0021     -0.0903      0.0042                                   
                                   33      H            -0.0083      0.0188     -0.0454                                   
                                   34      H            -0.0219     -0.0175      0.0009                                   
                                   35      H             0.0149     -0.0154     -0.0456                                   
                                   36      H            -0.0015     -0.0431     -0.0786                                   
                                   37      H             0.0873      0.0346      0.0227                                   
                                   38      H             0.0003     -0.0461      0.0235                                   
                                   39      H            -0.0054      0.0283     -0.0450                                   
                                   40      H            -0.0050      0.0156     -0.0815                                   
                                   41      H             0.0048      0.0383      0.0424                                   
                                   42      H             0.0181     -0.0305      0.0212                                   
                                   43      H             0.0071     -0.0116     -0.0015                                   
                                   44      H            -0.0028     -0.2337     -0.6529                                   
                                   45      H            -0.0050     -0.0084     -0.0043                                   
                                   46      H            -0.0011     -0.2336     -0.4468                                   
                                   47      H             0.0422      0.0370      0.0235                                   
                                   48      H            -0.0004      0.0011     -0.0035                                   
                                   49      H            -0.0408      0.0452      0.2967                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      42                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 789.81  cm**-1                                     
                                   Reduced mass:                       3.0161  amu                                        
                                   Force constant:                     1.1085  mdyne/A                                    
                                   IR intensity:                       2.6438  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0044      0.0102     -0.0102                                   
                                   2       O             0.0031     -0.0015     -0.0031                                   
                                   3       O            -0.0309     -0.0292     -0.0045                                   
                                   4       C             0.0272     -0.0217      0.0273                                   
                                   5       C            -0.0951     -0.1140      0.1371                                   
                                   6       C             0.0555      0.0353     -0.1483                                   
                                   7       C             0.0784      0.0447     -0.1753                                   
                                   8       C             0.0367      0.0485      0.1416                                   
                                   9       C            -0.0320     -0.0344      0.0057                                   
                                   10      C            -0.0162      0.0221      0.0229                                   
                                   11      C            -0.0276      0.0661      0.0441                                   
                                   12      C            -0.0792     -0.0681      0.0026                                   
                                   13      C            -0.0581      0.0070     -0.0516                                   
                                   14      C            -0.0078      0.0061      0.0066                                   
                                   15      C            -0.0341      0.0410      0.0038                                   
                                   16      C            -0.0143     -0.0126     -0.0371                                   
                                   17      C             0.0112     -0.0257      0.0247                                   
                                   18      C             0.0375     -0.0091      0.0140                                   
                                   19      C             0.0114     -0.0080     -0.0080                                   
                                   20      C             0.0448      0.0730     -0.0421                                   
                                   21      C            -0.0246      0.0219      0.0138                                   
                                   22      C             0.0279     -0.0135      0.0144                                   
                                   23      C             0.0227     -0.0104      0.0108                                   
                                   24      H            -0.1040     -0.1360      0.1265                                   
                                   25      H             0.2033     -0.1042     -0.0340                                   
                                   26      H             0.0640     -0.0764     -0.1263                                   
                                   27      H            -0.0553      0.0815     -0.2231                                   
                                   28      H             0.0529      0.0154      0.1192                                   
                                   29      H             0.0307      0.0418      0.1568                                   
                                   30      H            -0.0085      0.1128      0.0413                                   
                                   31      H            -0.0205      0.0458     -0.0011                                   
                                   32      H             0.1493      0.1989     -0.0809                                   
                                   33      H             0.1206     -0.2469      0.2185                                   
                                   34      H             0.2051     -0.3389     -0.1361                                   
                                   35      H             0.0663      0.1500      0.3189                                   
                                   36      H            -0.0176      0.0109      0.0058                                   
                                   37      H             0.0862     -0.0572      0.0117                                   
                                   38      H            -0.1033      0.0379     -0.1395                                   
                                   39      H            -0.0112      0.0136     -0.0637                                   
                                   40      H            -0.0043      0.0032     -0.0574                                   
                                   41      H             0.0099      0.0175      0.0229                                   
                                   42      H             0.0289     -0.0450      0.0261                                   
                                   43      H             0.0306     -0.0352      0.0266                                   
                                   44      H            -0.0067     -0.0282      0.0305                                   
                                   45      H            -0.0099     -0.0383     -0.0072                                   
                                   46      H             0.0325      0.0911     -0.0090                                   
                                   47      H             0.0244     -0.0210     -0.0185                                   
                                   48      H            -0.0129      0.0101      0.0092                                   
                                   49      H             0.0440      0.0487     -0.0151                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      43                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 819.16  cm**-1                                     
                                   Reduced mass:                       2.9632  amu                                        
                                   Force constant:                     1.1715  mdyne/A                                    
                                   IR intensity:                       6.2887  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0059     -0.0080      0.0032                                   
                                   2       O            -0.0072      0.0019      0.0083                                   
                                   3       O             0.0553      0.1166     -0.0035                                   
                                   4       C            -0.0063     -0.0150      0.0037                                   
                                   5       C             0.0079     -0.0592      0.0037                                   
                                   6       C             0.0050      0.0106      0.0606                                   
                                   7       C             0.0345      0.0092     -0.0189                                   
                                   8       C             0.0289     -0.0330     -0.0217                                   
                                   9       C             0.0856      0.0255     -0.0166                                   
                                   10      C             0.0095     -0.0118     -0.0049                                   
                                   11      C            -0.0322      0.0289      0.0025                                   
                                   12      C            -0.0628      0.0060     -0.0513                                   
                                   13      C            -0.0634      0.0441      0.0201                                   
                                   14      C             0.1393     -0.0369      0.0419                                   
                                   15      C            -0.0167     -0.0094     -0.0044                                   
                                   16      C             0.0143      0.0091      0.0182                                   
                                   17      C            -0.0187      0.0202     -0.0367                                   
                                   18      C            -0.0358      0.0934      0.0016                                   
                                   19      C             0.0555     -0.0032     -0.0111                                   
                                   20      C            -0.0334     -0.1520      0.0846                                   
                                   21      C             0.0704     -0.0284     -0.0160                                   
                                   22      C            -0.0985     -0.0511     -0.0430                                   
                                   23      C            -0.1557      0.0532     -0.0465                                   
                                   24      H             0.0331     -0.1119      0.0063                                   
                                   25      H             0.0544     -0.0943      0.0906                                   
                                   26      H             0.0817     -0.1111     -0.0258                                   
                                   27      H            -0.0388      0.0254     -0.0645                                   
                                   28      H             0.0607      0.0199      0.0173                                   
                                   29      H             0.0379     -0.0162     -0.0780                                   
                                   30      H            -0.0797      0.0048     -0.0020                                   
                                   31      H            -0.0085      0.0293      0.0490                                   
                                   32      H             0.1252      0.2775     -0.1018                                   
                                   33      H             0.0969     -0.1518      0.1923                                   
                                   34      H             0.1995     -0.1023     -0.1031                                   
                                   35      H            -0.0015      0.1159      0.2861                                   
                                   36      H             0.1936     -0.1046      0.0371                                   
                                   37      H            -0.0623     -0.0404     -0.0078                                   
                                   38      H            -0.1125     -0.0771     -0.0028                                   
                                   39      H            -0.0316      0.0160      0.1859                                   
                                   40      H            -0.0453     -0.0154     -0.0303                                   
                                   41      H            -0.0688     -0.0181     -0.0711                                   
                                   42      H            -0.0381      0.0375     -0.0343                                   
                                   43      H            -0.0110      0.0191     -0.0113                                   
                                   44      H             0.0747      0.0566     -0.2436                                   
                                   45      H             0.0108      0.0088      0.0090                                   
                                   46      H             0.0754     -0.2594     -0.0266                                   
                                   47      H            -0.1620      0.0307      0.2678                                   
                                   48      H             0.0005     -0.0036     -0.0009                                   
                                   49      H            -0.1879     -0.1043     -0.0570                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      44                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 832.40  cm**-1                                     
                                   Reduced mass:                       1.4859  amu                                        
                                   Force constant:                     0.6066  mdyne/A                                    
                                   IR intensity:                       8.9464  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0111      0.0150     -0.0094                                   
                                   2       O             0.0066     -0.0012     -0.0080                                   
                                   3       O            -0.0045      0.0094      0.0129                                   
                                   4       C             0.0007      0.0057      0.0151                                   
                                   5       C            -0.0230      0.0089     -0.0349                                   
                                   6       C             0.0295     -0.0011     -0.1011                                   
                                   7       C             0.0000     -0.0110      0.0107                                   
                                   8       C            -0.0416      0.0245      0.0503                                   
                                   9       C            -0.0251      0.0023     -0.0081                                   
                                   10      C            -0.0111      0.0067     -0.0037                                   
                                   11      C             0.0025      0.0078     -0.0028                                   
                                   12      C             0.0084     -0.0103      0.0338                                   
                                   13      C             0.0176     -0.0135     -0.0000                                   
                                   14      C             0.0205     -0.0144     -0.0039                                   
                                   15      C             0.0153     -0.0175     -0.0060                                   
                                   16      C            -0.0023      0.0064      0.0375                                   
                                   17      C             0.0145     -0.0261      0.0334                                   
                                   18      C             0.0037      0.0096     -0.0099                                   
                                   19      C             0.0065      0.0039      0.0114                                   
                                   20      C             0.0072     -0.0052     -0.0136                                   
                                   21      C            -0.0025      0.0085      0.0200                                   
                                   22      C             0.0216     -0.0375     -0.1158                                   
                                   23      C            -0.0126      0.0024     -0.0007                                   
                                   24      H            -0.0578      0.0226     -0.0366                                   
                                   25      H            -0.0071      0.0341     -0.1198                                   
                                   26      H            -0.0659      0.0321      0.0565                                   
                                   27      H            -0.0081     -0.0069      0.0093                                   
                                   28      H            -0.0444      0.0289      0.0520                                   
                                   29      H            -0.0529      0.0300      0.0364                                   
                                   30      H            -0.0349     -0.0233     -0.0050                                   
                                   31      H            -0.0019      0.0229      0.0383                                   
                                   32      H            -0.0952     -0.1035      0.0768                                   
                                   33      H            -0.0282      0.0386     -0.0882                                   
                                   34      H            -0.1205      0.0084      0.0739                                   
                                   35      H            -0.0201     -0.0559     -0.1003                                   
                                   36      H             0.0424     -0.0146     -0.0042                                   
                                   37      H            -0.0359      0.0502     -0.0082                                   
                                   38      H             0.0014     -0.0486      0.0651                                   
                                   39      H             0.0174     -0.0094     -0.0270                                   
                                   40      H             0.0257      0.0114      0.0771                                   
                                   41      H             0.0263      0.0070      0.0544                                   
                                   42      H             0.0331     -0.0242      0.0239                                   
                                   43      H             0.0208     -0.0284      0.0327                                   
                                   44      H             0.0255      0.0382      0.0189                                   
                                   45      H             0.0015     -0.0066     -0.0091                                   
                                   46      H             0.0266      0.0124      0.0526                                   
                                   47      H            -0.1950      0.2014      0.8542                                   
                                   48      H            -0.0090      0.0102      0.0111                                   
                                   49      H            -0.0099      0.0004     -0.0111                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      45                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 834.17  cm**-1                                     
                                   Reduced mass:                       2.2232  amu                                        
                                   Force constant:                     0.9115  mdyne/A                                    
                                   IR intensity:                       4.6983  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0203     -0.0275      0.0169                                   
                                   2       O            -0.0108      0.0017      0.0132                                   
                                   3       O            -0.0151     -0.0440      0.0196                                   
                                   4       C            -0.0004     -0.0045     -0.0272                                   
                                   5       C             0.0318     -0.0055      0.0669                                   
                                   6       C            -0.0526      0.0012      0.1733                                   
                                   7       C            -0.0063      0.0219     -0.0223                                   
                                   8       C             0.0731     -0.0370     -0.0881                                   
                                   9       C             0.0236     -0.0136      0.0147                                   
                                   10      C             0.0184     -0.0093      0.0085                                   
                                   11      C             0.0028     -0.0168      0.0119                                   
                                   12      C            -0.0025      0.0117     -0.0500                                   
                                   13      C            -0.0155      0.0129     -0.0076                                   
                                   14      C            -0.0789      0.0294     -0.0217                                   
                                   15      C            -0.0226      0.0281      0.0101                                   
                                   16      C             0.0018     -0.0139     -0.0548                                   
                                   17      C            -0.0229      0.0451     -0.0542                                   
                                   18      C             0.0029     -0.0381      0.0053                                   
                                   19      C            -0.0465      0.0092      0.0218                                   
                                   20      C            -0.0021      0.0377     -0.0250                                   
                                   21      C            -0.0274      0.0026      0.0158                                   
                                   22      C             0.0602      0.0189     -0.0972                                   
                                   23      C             0.0757     -0.0214      0.0220                                   
                                   24      H             0.0890     -0.0189      0.0691                                   
                                   25      H             0.0102     -0.0414      0.2056                                   
                                   26      H             0.1076     -0.0383     -0.1053                                   
                                   27      H             0.0217      0.0108     -0.0144                                   
                                   28      H             0.0712     -0.0589     -0.1010                                   
                                   29      H             0.0943     -0.0520     -0.0478                                   
                                   30      H             0.0905      0.0615      0.0167                                   
                                   31      H            -0.0036     -0.0462     -0.0942                                   
                                   32      H             0.1514      0.1350     -0.1182                                   
                                   33      H             0.0355     -0.0492      0.1282                                   
                                   34      H             0.1811      0.0078     -0.1171                                   
                                   35      H             0.0412      0.0761      0.1160                                   
                                   36      H            -0.1050      0.0388     -0.0188                                   
                                   37      H             0.0834     -0.0543      0.0160                                   
                                   38      H             0.0314      0.1008     -0.1075                                   
                                   39      H            -0.0261      0.0188      0.0287                                   
                                   40      H            -0.0391     -0.0148     -0.1312                                   
                                   41      H            -0.0366      0.0010     -0.0544                                   
                                   42      H            -0.0533      0.0356     -0.0362                                   
                                   43      H            -0.0371      0.0496     -0.0608                                   
                                   44      H            -0.0596     -0.0334      0.1164                                   
                                   45      H            -0.0065      0.0078      0.0151                                   
                                   46      H            -0.0460      0.0708     -0.0043                                   
                                   47      H            -0.1120      0.2022      0.6620                                   
                                   48      H             0.0177     -0.0190     -0.0215                                   
                                   49      H             0.0809      0.0202      0.0335                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      46                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 857.90  cm**-1                                     
                                   Reduced mass:                       2.1369  amu                                        
                                   Force constant:                     0.9266  mdyne/A                                    
                                   IR intensity:                       1.8707  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0324     -0.0389      0.0190                                   
                                   2       O             0.0002     -0.0006      0.0007                                   
                                   3       O            -0.0067      0.0048     -0.0037                                   
                                   4       C            -0.0037      0.0671     -0.0177                                   
                                   5       C            -0.0963     -0.0207      0.1176                                   
                                   6       C            -0.0206      0.0019      0.0737                                   
                                   7       C            -0.0230     -0.0032     -0.0028                                   
                                   8       C             0.0580      0.0589     -0.0693                                   
                                   9       C            -0.1171      0.0002      0.0078                                   
                                   10      C             0.0110      0.0119     -0.0061                                   
                                   11      C             0.0531      0.0601     -0.0590                                   
                                   12      C             0.0177     -0.0489      0.0021                                   
                                   13      C             0.0501     -0.0122     -0.0389                                   
                                   14      C             0.0277     -0.0416      0.0259                                   
                                   15      C             0.0597     -0.0700     -0.0367                                   
                                   16      C            -0.0409     -0.0014     -0.0122                                   
                                   17      C            -0.0016      0.0110     -0.0049                                   
                                   18      C             0.0195      0.0520     -0.0078                                   
                                   19      C             0.0169     -0.0028     -0.0126                                   
                                   20      C             0.0381      0.0072     -0.0222                                   
                                   21      C             0.0003      0.0055      0.0048                                   
                                   22      C            -0.0050     -0.0146      0.0048                                   
                                   23      C            -0.0186      0.0052     -0.0037                                   
                                   24      H            -0.1006     -0.0444      0.1060                                   
                                   25      H            -0.0083      0.0683      0.0784                                   
                                   26      H             0.0448      0.0680     -0.0844                                   
                                   27      H             0.0528     -0.0172      0.0629                                   
                                   28      H            -0.0027     -0.1736     -0.2264                                   
                                   29      H             0.1147     -0.0428      0.2103                                   
                                   30      H            -0.1820     -0.2952     -0.0629                                   
                                   31      H             0.0057      0.2089      0.3350                                   
                                   32      H             0.0523     -0.0410     -0.0203                                   
                                   33      H             0.0829     -0.0920     -0.0101                                   
                                   34      H             0.0394      0.0917     -0.0510                                   
                                   35      H             0.0512     -0.0134     -0.1218                                   
                                   36      H             0.0368      0.0008      0.0227                                   
                                   37      H            -0.2572      0.1663     -0.0546                                   
                                   38      H             0.0430     -0.1845      0.3075                                   
                                   39      H             0.0293     -0.0517     -0.2305                                   
                                   40      H             0.0726      0.0215      0.1495                                   
                                   41      H             0.0840      0.0025      0.0672                                   
                                   42      H            -0.0068     -0.0014      0.0018                                   
                                   43      H            -0.0078      0.0114     -0.0240                                   
                                   44      H             0.0907      0.0632     -0.1067                                   
                                   45      H            -0.0204      0.0144      0.0117                                   
                                   46      H             0.0995      0.0244      0.0999                                   
                                   47      H             0.0025     -0.0159     -0.0036                                   
                                   48      H             0.0117     -0.0091     -0.0135                                   
                                   49      H            -0.0129      0.0122     -0.0162                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      47                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 883.70  cm**-1                                     
                                   Reduced mass:                       1.9069  amu                                        
                                   Force constant:                     0.8774  mdyne/A                                    
                                   IR intensity:                       2.0278  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0151      0.0144     -0.0147                                   
                                   2       O            -0.0024     -0.0010      0.0023                                   
                                   3       O            -0.0256     -0.0363      0.0047                                   
                                   4       C             0.0175      0.0349      0.0041                                   
                                   5       C             0.0076      0.0216      0.0169                                   
                                   6       C             0.0646      0.0438     -0.0225                                   
                                   7       C             0.0487      0.0470      0.0984                                   
                                   8       C            -0.0976     -0.0609     -0.0434                                   
                                   9       C             0.0237      0.0232      0.0098                                   
                                   10      C             0.0025     -0.0228      0.0086                                   
                                   11      C             0.0388      0.0430     -0.0375                                   
                                   12      C            -0.0456     -0.0806      0.0287                                   
                                   13      C            -0.0197     -0.0274     -0.0412                                   
                                   14      C            -0.0112     -0.0180      0.0214                                   
                                   15      C             0.0298     -0.0260     -0.0190                                   
                                   16      C             0.0102      0.0123     -0.0307                                   
                                   17      C            -0.0058      0.0213     -0.0161                                   
                                   18      C            -0.0022     -0.0267     -0.0289                                   
                                   19      C            -0.0290      0.0161     -0.0152                                   
                                   20      C            -0.0085      0.0032      0.0674                                   
                                   21      C            -0.0139     -0.0157     -0.0017                                   
                                   22      C             0.0042      0.0703     -0.0145                                   
                                   23      C             0.0521     -0.0114      0.0140                                   
                                   24      H             0.0237      0.0796      0.0207                                   
                                   25      H             0.0333      0.0821     -0.0380                                   
                                   26      H            -0.0545     -0.2431      0.2790                                   
                                   27      H            -0.1998      0.0926     -0.1345                                   
                                   28      H            -0.1252      0.1232      0.0761                                   
                                   29      H            -0.0733     -0.0053     -0.2230                                   
                                   30      H            -0.1197     -0.1622     -0.0414                                   
                                   31      H             0.0234      0.1271      0.2063                                   
                                   32      H             0.0673      0.0643     -0.0111                                   
                                   33      H            -0.0250     -0.1214      0.1919                                   
                                   34      H             0.0904     -0.1255     -0.0818                                   
                                   35      H             0.0423      0.0414      0.0711                                   
                                   36      H            -0.0457     -0.0054      0.0199                                   
                                   37      H            -0.1605      0.0500     -0.0313                                   
                                   38      H             0.0541     -0.0569      0.1412                                   
                                   39      H            -0.0099     -0.0084      0.0578                                   
                                   40      H            -0.0228     -0.0266      0.0158                                   
                                   41      H            -0.0307     -0.0482     -0.1440                                   
                                   42      H            -0.0255     -0.0138      0.0047                                   
                                   43      H            -0.0183      0.0201     -0.0521                                   
                                   44      H             0.0058      0.1093      0.2729                                   
                                   45      H             0.0033     -0.0311     -0.0097                                   
                                   46      H            -0.0206     -0.2022     -0.4104                                   
                                   47      H            -0.0659      0.0710     -0.0277                                   
                                   48      H             0.0170     -0.0150     -0.0206                                   
                                   49      H             0.0552      0.0038      0.0060                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      48                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 891.86  cm**-1                                     
                                   Reduced mass:                       1.3867  amu                                        
                                   Force constant:                     0.6499  mdyne/A                                    
                                   IR intensity:                       2.1839  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0226      0.0262     -0.0129                                   
                                   2       O            -0.0062      0.0011      0.0050                                   
                                   3       O            -0.0013     -0.0149      0.0024                                   
                                   4       C             0.0085      0.0047     -0.0024                                   
                                   5       C             0.0121      0.0161      0.0105                                   
                                   6       C             0.0080      0.0123      0.0035                                   
                                   7       C             0.0139      0.0314      0.0189                                   
                                   8       C            -0.0362     -0.0693      0.0074                                   
                                   9       C             0.0064     -0.0180      0.0034                                   
                                   10      C            -0.0006     -0.0258      0.0179                                   
                                   11      C             0.0204      0.0220     -0.0145                                   
                                   12      C            -0.0048     -0.0121      0.0122                                   
                                   13      C            -0.0074     -0.0228     -0.0185                                   
                                   14      C            -0.0171     -0.0041      0.0174                                   
                                   15      C             0.0024      0.0042     -0.0100                                   
                                   16      C             0.0043     -0.0088     -0.0025                                   
                                   17      C            -0.0040      0.0175     -0.0173                                   
                                   18      C            -0.0050      0.0477      0.0601                                   
                                   19      C            -0.0185      0.0053      0.0002                                   
                                   20      C            -0.0017     -0.0491     -0.0858                                   
                                   21      C            -0.0084     -0.0098     -0.0046                                   
                                   22      C            -0.0002      0.0357     -0.0085                                   
                                   23      C             0.0275     -0.0060      0.0075                                   
                                   24      H             0.0221      0.0417      0.0113                                   
                                   25      H             0.0135      0.0196      0.0093                                   
                                   26      H            -0.0252     -0.0924      0.0922                                   
                                   27      H            -0.0787      0.0436     -0.0854                                   
                                   28      H            -0.0368      0.1480      0.1492                                   
                                   29      H            -0.0201      0.0045     -0.2279                                   
                                   30      H            -0.0496     -0.0691     -0.0165                                   
                                   31      H             0.0259      0.0533      0.0967                                   
                                   32      H             0.0064     -0.0253     -0.0002                                   
                                   33      H            -0.0324      0.0058      0.0279                                   
                                   34      H             0.0183     -0.0578     -0.0248                                   
                                   35      H             0.0175      0.0051      0.0121                                   
                                   36      H            -0.0164     -0.0223      0.0158                                   
                                   37      H            -0.0640     -0.0063     -0.0151                                   
                                   38      H             0.0209      0.0101      0.0128                                   
                                   39      H            -0.0058      0.0212      0.0136                                   
                                   40      H            -0.0121      0.0019     -0.0645                                   
                                   41      H            -0.0081      0.0199      0.0323                                   
                                   42      H            -0.0184     -0.0003     -0.0043                                   
                                   43      H            -0.0191      0.0209     -0.0333                                   
                                   44      H            -0.0421     -0.2156     -0.4838                                   
                                   45      H             0.0111     -0.0162     -0.0086                                   
                                   46      H             0.0510      0.2512      0.6614                                   
                                   47      H            -0.0218      0.0304     -0.0342                                   
                                   48      H             0.0086     -0.0092     -0.0085                                   
                                   49      H             0.0215     -0.0151      0.0169                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      49                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 893.83  cm**-1                                     
                                   Reduced mass:                       2.4472  amu                                        
                                   Force constant:                     1.1519  mdyne/A                                    
                                   IR intensity:                       4.8620  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0166     -0.0075      0.0051                                   
                                   2       O             0.0260     -0.0022     -0.0175                                   
                                   3       O            -0.0408     -0.0573      0.0059                                   
                                   4       C             0.0031      0.0270      0.0043                                   
                                   5       C             0.0362     -0.0589     -0.0502                                   
                                   6       C             0.0025     -0.0200     -0.0387                                   
                                   7       C             0.0387     -0.0931      0.0833                                   
                                   8       C            -0.0410      0.1409     -0.0311                                   
                                   9       C             0.0525     -0.0077     -0.0099                                   
                                   10      C            -0.0188      0.0271     -0.0681                                   
                                   11      C             0.0172      0.0104     -0.0286                                   
                                   12      C            -0.0197     -0.0017     -0.0468                                   
                                   13      C            -0.0624      0.1036      0.0659                                   
                                   14      C            -0.0053     -0.0054      0.0214                                   
                                   15      C             0.0190      0.0174      0.0104                                   
                                   16      C             0.0196     -0.0004      0.0134                                   
                                   17      C            -0.0124     -0.0874      0.0305                                   
                                   18      C            -0.0106      0.0186      0.0193                                   
                                   19      C            -0.0405      0.0302     -0.0157                                   
                                   20      C            -0.0148     -0.0556     -0.0039                                   
                                   21      C            -0.0232     -0.0246     -0.0067                                   
                                   22      C             0.0011      0.1168     -0.0264                                   
                                   23      C             0.0849     -0.0195      0.0228                                   
                                   24      H             0.0430     -0.1373     -0.0470                                   
                                   25      H            -0.0926     -0.0760     -0.1090                                   
                                   26      H             0.0119     -0.0051      0.0772                                   
                                   27      H             0.0967     -0.1021      0.1233                                   
                                   28      H            -0.0908     -0.2597     -0.2961                                   
                                   29      H            -0.0440     -0.0081      0.4241                                   
                                   30      H            -0.0212     -0.1218     -0.0234                                   
                                   31      H             0.0458      0.0353      0.1003                                   
                                   32      H             0.0677      0.1452     -0.0628                                   
                                   33      H             0.1253     -0.1159      0.0293                                   
                                   34      H             0.0646     -0.0110      0.0103                                   
                                   35      H            -0.0343      0.1319      0.2202                                   
                                   36      H            -0.0209     -0.0656      0.0202                                   
                                   37      H            -0.0092     -0.0575      0.0058                                   
                                   38      H             0.0473      0.0503     -0.0345                                   
                                   39      H            -0.0170      0.0248      0.1295                                   
                                   40      H            -0.0325     -0.0071     -0.0706                                   
                                   41      H            -0.0442      0.0038     -0.0181                                   
                                   42      H             0.0436      0.1164     -0.0706                                   
                                   43      H             0.1066     -0.1060      0.2484                                   
                                   44      H            -0.0037     -0.0492     -0.1403                                   
                                   45      H             0.0381      0.0881      0.0157                                   
                                   46      H             0.0314      0.0005      0.1849                                   
                                   47      H            -0.1386      0.1150     -0.0703                                   
                                   48      H            -0.0730      0.0683      0.0915                                   
                                   49      H             0.0867      0.0034      0.0189                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      50                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 900.73  cm**-1                                     
                                   Reduced mass:                       2.2913  amu                                        
                                   Force constant:                     1.0953  mdyne/A                                    
                                   IR intensity:                       3.4878  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0611     -0.0923      0.0305                                   
                                   2       O            -0.0000     -0.0064     -0.0052                                   
                                   3       O             0.0372      0.0421     -0.0035                                   
                                   4       C             0.0170      0.0265      0.0115                                   
                                   5       C             0.0154      0.0226     -0.0111                                   
                                   6       C             0.0813      0.0359     -0.0485                                   
                                   7       C             0.0279      0.0395      0.1029                                   
                                   8       C            -0.0307      0.0824     -0.1159                                   
                                   9       C             0.0058      0.0108      0.0043                                   
                                   10      C             0.0318      0.0567     -0.0093                                   
                                   11      C            -0.0271     -0.0714      0.0142                                   
                                   12      C            -0.0531     -0.0518      0.0316                                   
                                   13      C            -0.0125     -0.0299     -0.0310                                   
                                   14      C            -0.0239      0.0346     -0.0340                                   
                                   15      C             0.0027     -0.0039      0.0200                                   
                                   16      C             0.0034      0.0067     -0.0101                                   
                                   17      C             0.0278      0.0550      0.0340                                   
                                   18      C             0.0040     -0.0308      0.0358                                   
                                   19      C             0.0197     -0.0247      0.0253                                   
                                   20      C            -0.0020      0.0277     -0.0436                                   
                                   21      C             0.0162      0.0182      0.0025                                   
                                   22      C             0.0062     -0.0945      0.0212                                   
                                   23      C            -0.0587      0.0125     -0.0161                                   
                                   24      H             0.0047      0.0789     -0.0081                                   
                                   25      H             0.0147      0.1009     -0.0898                                   
                                   26      H            -0.0442     -0.1813      0.2328                                   
                                   27      H            -0.1812      0.0866     -0.0612                                   
                                   28      H            -0.0623     -0.2279     -0.3182                                   
                                   29      H            -0.0696     -0.0239      0.2482                                   
                                   30      H             0.1123      0.1297      0.0189                                   
                                   31      H            -0.0668     -0.1183     -0.2172                                   
                                   32      H             0.0236      0.0714      0.0124                                   
                                   33      H            -0.0277     -0.0919      0.1726                                   
                                   34      H             0.0527     -0.1040     -0.0519                                   
                                   35      H            -0.0008     -0.0144      0.0553                                   
                                   36      H            -0.0223      0.0670     -0.0305                                   
                                   37      H             0.1117      0.0132      0.0273                                   
                                   38      H             0.0669      0.0505     -0.0131                                   
                                   39      H            -0.0005      0.0038      0.0053                                   
                                   40      H            -0.0067     -0.0075      0.0103                                   
                                   41      H            -0.0055     -0.0154     -0.0501                                   
                                   42      H            -0.0131     -0.2062      0.1452                                   
                                   43      H            -0.0626      0.0507     -0.2514                                   
                                   44      H            -0.0723     -0.1450     -0.1102                                   
                                   45      H            -0.0850     -0.0711      0.0080                                   
                                   46      H            -0.0746      0.1697      0.1794                                   
                                   47      H             0.1531     -0.0965      0.0573                                   
                                   48      H             0.0866     -0.0703     -0.1213                                   
                                   49      H            -0.0632     -0.0061     -0.0018                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      51                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 910.02  cm**-1                                     
                                   Reduced mass:                       2.1306  amu                                        
                                   Force constant:                     1.0396  mdyne/A                                    
                                   IR intensity:                      14.0027  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0482      0.0884     -0.0363                                   
                                   2       O             0.0287      0.0031     -0.0086                                   
                                   3       O             0.0555      0.0489     -0.0011                                   
                                   4       C             0.0056      0.0406      0.0035                                   
                                   5       C             0.0166      0.0169      0.0341                                   
                                   6       C            -0.0067      0.0035      0.0607                                   
                                   7       C             0.0517      0.0056      0.0370                                   
                                   8       C            -0.0708      0.0079     -0.0009                                   
                                   9       C            -0.0299      0.0069      0.0226                                   
                                   10      C            -0.0463     -0.0539     -0.0419                                   
                                   11      C            -0.0044     -0.0312      0.0011                                   
                                   12      C             0.0065     -0.0307     -0.0066                                   
                                   13      C            -0.0077      0.0102     -0.0104                                   
                                   14      C            -0.0475      0.0243     -0.0326                                   
                                   15      C             0.0199     -0.0296      0.0084                                   
                                   16      C            -0.0149     -0.0022     -0.0320                                   
                                   17      C            -0.0628     -0.1235     -0.0410                                   
                                   18      C             0.0054     -0.0198      0.0032                                   
                                   19      C             0.0069     -0.0344      0.0274                                   
                                   20      C             0.0070      0.0571     -0.0280                                   
                                   21      C             0.0151      0.0158      0.0058                                   
                                   22      C             0.0109     -0.1055      0.0236                                   
                                   23      C            -0.0644      0.0150     -0.0179                                   
                                   24      H             0.0383      0.0300      0.0346                                   
                                   25      H             0.0128     -0.0160      0.0733                                   
                                   26      H             0.0388     -0.1614      0.0983                                   
                                   27      H            -0.0024     -0.0068     -0.1190                                   
                                   28      H            -0.1327      0.0025     -0.0100                                   
                                   29      H            -0.0026     -0.0137      0.0151                                   
                                   30      H             0.0469      0.0269      0.0044                                   
                                   31      H            -0.0646     -0.0220     -0.0809                                   
                                   32      H             0.0785     -0.0009     -0.0490                                   
                                   33      H             0.0062     -0.0404      0.0543                                   
                                   34      H             0.0650      0.0245     -0.0528                                   
                                   35      H             0.0397      0.0612      0.0190                                   
                                   36      H            -0.0703      0.0969     -0.0284                                   
                                   37      H             0.0356      0.0692      0.0109                                   
                                   38      H             0.0776     -0.0113      0.0840                                   
                                   39      H             0.0080     -0.0184     -0.1019                                   
                                   40      H             0.0169     -0.0008      0.0279                                   
                                   41      H             0.0245     -0.0086     -0.0199                                   
                                   42      H             0.0351      0.3847     -0.2677                                   
                                   43      H             0.1434     -0.1278      0.5068                                   
                                   44      H            -0.0458     -0.0420      0.0281                                   
                                   45      H             0.1251      0.1377      0.0022                                   
                                   46      H            -0.0549      0.1085      0.0050                                   
                                   47      H             0.2208     -0.1079      0.0823                                   
                                   48      H            -0.1646      0.1428      0.2179                                   
                                   49      H            -0.0760     -0.0305      0.0019                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      52                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 931.63  cm**-1                                     
                                   Reduced mass:                       2.2071  amu                                        
                                   Force constant:                     1.1286  mdyne/A                                    
                                   IR intensity:                       2.9231  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0009     -0.0065      0.0052                                   
                                   2       O            -0.0119      0.0001      0.0035                                   
                                   3       O             0.1152      0.0533      0.0119                                   
                                   4       C             0.0180      0.0006     -0.0317                                   
                                   5       C             0.0114     -0.0177     -0.0249                                   
                                   6       C            -0.0368     -0.0053     -0.0362                                   
                                   7       C             0.0042     -0.0729      0.0434                                   
                                   8       C            -0.0044     -0.0136      0.0231                                   
                                   9       C             0.0179     -0.0772      0.0105                                   
                                   10      C             0.0096      0.0026      0.0105                                   
                                   11      C             0.0772      0.0775     -0.0424                                   
                                   12      C             0.0113     -0.0085     -0.0103                                   
                                   13      C            -0.0323      0.0599      0.0164                                   
                                   14      C            -0.1169     -0.0174      0.0075                                   
                                   15      C            -0.0207      0.0399      0.0049                                   
                                   16      C             0.0087     -0.0616      0.0176                                   
                                   17      C             0.0219      0.0347      0.0141                                   
                                   18      C            -0.0160      0.0577     -0.0534                                   
                                   19      C            -0.0629     -0.0605      0.0201                                   
                                   20      C             0.0045      0.0754     -0.0154                                   
                                   21      C            -0.0043     -0.0242      0.0072                                   
                                   22      C             0.0059     -0.0506      0.0105                                   
                                   23      C            -0.0400      0.0158     -0.0132                                   
                                   24      H             0.0357     -0.0059     -0.0204                                   
                                   25      H            -0.1280      0.0178     -0.1034                                   
                                   26      H             0.0000      0.0486      0.0087                                   
                                   27      H             0.0775     -0.0812      0.1172                                   
                                   28      H            -0.0279      0.0623      0.0695                                   
                                   29      H            -0.0042      0.0111     -0.0542                                   
                                   30      H            -0.0215     -0.2669     -0.0319                                   
                                   31      H             0.0941      0.1678      0.2873                                   
                                   32      H             0.0267      0.0025     -0.0180                                   
                                   33      H             0.0340     -0.0203     -0.0265                                   
                                   34      H             0.0231     -0.0672      0.0070                                   
                                   35      H             0.0369      0.1299      0.0929                                   
                                   36      H            -0.1880     -0.0954      0.0110                                   
                                   37      H            -0.0474     -0.1404     -0.0032                                   
                                   38      H             0.0272      0.1205     -0.1507                                   
                                   39      H            -0.0218      0.1067      0.0055                                   
                                   40      H            -0.0288      0.0338     -0.3195                                   
                                   41      H            -0.0038      0.1413      0.3087                                   
                                   42      H            -0.0203     -0.1236      0.0882                                   
                                   43      H            -0.0285      0.0281     -0.1547                                   
                                   44      H            -0.0996      0.0611      0.0986                                   
                                   45      H            -0.0242     -0.0291     -0.0046                                   
                                   46      H             0.0715      0.0006     -0.0947                                   
                                   47      H             0.3234     -0.0606      0.0873                                   
                                   48      H             0.0550     -0.0479     -0.0669                                   
                                   49      H            -0.1005     -0.1953      0.0380                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      53                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 942.76  cm**-1                                     
                                   Reduced mass:                       1.9628  amu                                        
                                   Force constant:                     1.0279  mdyne/A                                    
                                   IR intensity:                       3.3825  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0182     -0.0101     -0.0040                                   
                                   2       O             0.0159      0.0016     -0.0026                                   
                                   3       O             0.0059      0.0018      0.0015                                   
                                   4       C            -0.0192     -0.0239     -0.0360                                   
                                   5       C            -0.0845      0.0445     -0.0056                                   
                                   6       C             0.0627      0.0657      0.0275                                   
                                   7       C            -0.0473      0.0382      0.0124                                   
                                   8       C             0.0624      0.0377      0.0166                                   
                                   9       C             0.0523     -0.0396     -0.0370                                   
                                   10      C             0.0040      0.0083     -0.0015                                   
                                   11      C             0.0207     -0.0165     -0.0331                                   
                                   12      C            -0.0733     -0.0369      0.0528                                   
                                   13      C             0.0835     -0.1002     -0.0634                                   
                                   14      C             0.0042     -0.0136      0.0167                                   
                                   15      C            -0.0309      0.0664      0.0247                                   
                                   16      C             0.0397     -0.0302      0.0494                                   
                                   17      C            -0.0362     -0.0491     -0.0297                                   
                                   18      C            -0.0077      0.0251     -0.0108                                   
                                   19      C            -0.0036     -0.0006     -0.0070                                   
                                   20      C            -0.0041     -0.0128      0.0105                                   
                                   21      C            -0.0026     -0.0117     -0.0017                                   
                                   22      C            -0.0076      0.0205     -0.0043                                   
                                   23      C             0.0061     -0.0004      0.0013                                   
                                   24      H            -0.1334      0.1585     -0.0071                                   
                                   25      H             0.1018      0.2427      0.0659                                   
                                   26      H             0.0477      0.0153     -0.0668                                   
                                   27      H            -0.1478      0.0964      0.1123                                   
                                   28      H             0.0721     -0.0688     -0.0532                                   
                                   29      H             0.0459      0.0050      0.1216                                   
                                   30      H             0.0550     -0.1150     -0.0212                                   
                                   31      H             0.0849     -0.0236      0.0560                                   
                                   32      H            -0.0861      0.0925      0.0922                                   
                                   33      H            -0.0718     -0.0535      0.1575                                   
                                   34      H            -0.0413      0.1269     -0.0293                                   
                                   35      H            -0.0178     -0.2009     -0.2326                                   
                                   36      H             0.0133     -0.1885      0.0172                                   
                                   37      H             0.0506     -0.2048      0.0228                                   
                                   38      H            -0.0055      0.1590     -0.2347                                   
                                   39      H            -0.0416      0.1079      0.2398                                   
                                   40      H            -0.0741      0.0044     -0.2675                                   
                                   41      H            -0.0764      0.0872      0.1550                                   
                                   42      H             0.0407      0.2092     -0.1513                                   
                                   43      H             0.0198     -0.0234      0.2497                                   
                                   44      H            -0.0356      0.0049     -0.0068                                   
                                   45      H             0.0036      0.0124      0.0025                                   
                                   46      H             0.0522     -0.0600     -0.0209                                   
                                   47      H            -0.0387      0.0192     -0.0191                                   
                                   48      H            -0.0938      0.0805      0.1133                                   
                                   49      H            -0.0029     -0.0322      0.0040                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      54                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 949.41  cm**-1                                     
                                   Reduced mass:                       1.7155  amu                                        
                                   Force constant:                     0.9111  mdyne/A                                    
                                   IR intensity:                       9.0012  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0006      0.0010     -0.0004                                   
                                   2       O            -0.0028      0.0005      0.0016                                   
                                   3       O             0.0171      0.0111     -0.0006                                   
                                   4       C             0.0089     -0.0095     -0.0236                                   
                                   5       C            -0.0401      0.0114     -0.0017                                   
                                   6       C            -0.0061      0.0060     -0.0137                                   
                                   7       C            -0.0325     -0.0581     -0.0191                                   
                                   8       C             0.0190     -0.0128      0.0263                                   
                                   9       C             0.0527      0.0861     -0.0330                                   
                                   10      C            -0.0027      0.0031      0.0105                                   
                                   11      C             0.0366      0.0571     -0.0159                                   
                                   12      C            -0.0260     -0.0474     -0.0097                                   
                                   13      C             0.0316      0.0297      0.0070                                   
                                   14      C            -0.0343     -0.0276     -0.0484                                   
                                   15      C            -0.0130     -0.0149      0.0068                                   
                                   16      C             0.0452      0.0935     -0.0004                                   
                                   17      C             0.0042      0.0018      0.0017                                   
                                   18      C             0.0067     -0.0884      0.0809                                   
                                   19      C            -0.0125     -0.0113      0.0209                                   
                                   20      C            -0.0226      0.0186     -0.0177                                   
                                   21      C             0.0050      0.0119      0.0018                                   
                                   22      C             0.0105     -0.0369      0.0086                                   
                                   23      C            -0.0149      0.0016     -0.0043                                   
                                   24      H            -0.0501      0.0061     -0.0031                                   
                                   25      H            -0.0164      0.0423     -0.0199                                   
                                   26      H            -0.0361      0.1935     -0.0892                                   
                                   27      H             0.1160     -0.0705      0.1808                                   
                                   28      H             0.0075      0.0444      0.0617                                   
                                   29      H             0.0201      0.0065     -0.0347                                   
                                   30      H            -0.0055     -0.1396     -0.0087                                   
                                   31      H            -0.0003      0.1272      0.1543                                   
                                   32      H            -0.0080      0.1061      0.0190                                   
                                   33      H             0.0991     -0.1382      0.0380                                   
                                   34      H             0.0007      0.1050      0.0080                                   
                                   35      H             0.0186      0.0119     -0.0664                                   
                                   36      H            -0.0666     -0.0855     -0.0406                                   
                                   37      H            -0.0353     -0.0536      0.0041                                   
                                   38      H            -0.0472     -0.0343     -0.0056                                   
                                   39      H            -0.0198     -0.0843      0.3569                                   
                                   40      H            -0.0704     -0.0792      0.2520                                   
                                   41      H            -0.1300     -0.2053     -0.5364                                   
                                   42      H             0.0027     -0.0070      0.0059                                   
                                   43      H            -0.0009      0.0022     -0.0086                                   
                                   44      H            -0.0665     -0.1872     -0.0393                                   
                                   45      H            -0.0168     -0.0264     -0.0049                                   
                                   46      H            -0.2236      0.1455      0.0010                                   
                                   47      H             0.1175     -0.0391      0.0383                                   
                                   48      H             0.0034     -0.0036     -0.0033                                   
                                   49      H            -0.0181     -0.0061      0.0061                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      55                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 968.36  cm**-1                                     
                                   Reduced mass:                       1.9913  amu                                        
                                   Force constant:                     1.1002  mdyne/A                                    
                                   IR intensity:                      12.7959  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0064     -0.0100      0.0032                                   
                                   2       O             0.0114     -0.0034     -0.0084                                   
                                   3       O             0.0401      0.0067      0.0071                                   
                                   4       C            -0.0071      0.0085      0.0769                                   
                                   5       C            -0.0239     -0.0735     -0.0102                                   
                                   6       C             0.0612     -0.0452     -0.0052                                   
                                   7       C            -0.0452      0.1222     -0.0681                                   
                                   8       C            -0.0256      0.0073     -0.0302                                   
                                   9       C             0.0451     -0.0164      0.0282                                   
                                   10      C            -0.0153      0.0244     -0.0215                                   
                                   11      C             0.0206      0.0156      0.0125                                   
                                   12      C            -0.0039      0.0664     -0.0737                                   
                                   13      C             0.0349     -0.0576      0.0941                                   
                                   14      C            -0.0549      0.0127      0.0450                                   
                                   15      C             0.0393     -0.0252     -0.0455                                   
                                   16      C             0.0465     -0.0089     -0.0273                                   
                                   17      C            -0.0011     -0.0143      0.0207                                   
                                   18      C            -0.0064      0.0105     -0.0003                                   
                                   19      C            -0.0393     -0.0262     -0.0038                                   
                                   20      C            -0.0036      0.0259     -0.0090                                   
                                   21      C            -0.0137     -0.0186      0.0032                                   
                                   22      C             0.0004      0.0101     -0.0021                                   
                                   23      C            -0.0030      0.0042     -0.0015                                   
                                   24      H             0.0297     -0.2712     -0.0064                                   
                                   25      H             0.1737     -0.2466      0.0749                                   
                                   26      H            -0.2096      0.0867      0.0969                                   
                                   27      H            -0.0977      0.1138     -0.1694                                   
                                   28      H             0.0575     -0.0321     -0.0459                                   
                                   29      H            -0.0528      0.0012      0.0128                                   
                                   30      H            -0.1837      0.1060     -0.0163                                   
                                   31      H             0.0788     -0.0091      0.0399                                   
                                   32      H            -0.0542      0.1588     -0.0064                                   
                                   33      H             0.0799     -0.0032     -0.0501                                   
                                   34      H            -0.1208      0.2154      0.1250                                   
                                   35      H            -0.2129     -0.3183     -0.0633                                   
                                   36      H            -0.0895      0.0985      0.0380                                   
                                   37      H            -0.2050      0.1179     -0.0575                                   
                                   38      H             0.1563     -0.0145      0.1952                                   
                                   39      H            -0.0288      0.0474      0.2002                                   
                                   40      H            -0.0835     -0.0409     -0.1880                                   
                                   41      H            -0.0927     -0.0102     -0.1041                                   
                                   42      H             0.0200     -0.0025      0.0065                                   
                                   43      H             0.0086     -0.0166      0.0247                                   
                                   44      H            -0.0716     -0.0267      0.0265                                   
                                   45      H            -0.0016     -0.0159      0.0071                                   
                                   46      H             0.0109      0.0134     -0.0160                                   
                                   47      H             0.1648      0.0029      0.0303                                   
                                   48      H            -0.0107      0.0117      0.0067                                   
                                   49      H            -0.0393     -0.1197      0.0237                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      56                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 996.11  cm**-1                                     
                                   Reduced mass:                       2.0219  amu                                        
                                   Force constant:                     1.1820  mdyne/A                                    
                                   IR intensity:                       7.4619  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0220      0.0211     -0.0041                                   
                                   2       O            -0.0182      0.0031      0.0049                                   
                                   3       O            -0.0255     -0.0025     -0.0049                                   
                                   4       C             0.0193      0.0578      0.0054                                   
                                   5       C            -0.1320     -0.0464      0.0551                                   
                                   6       C            -0.0889     -0.0594      0.0293                                   
                                   7       C             0.0814      0.0673      0.0175                                   
                                   8       C            -0.0356      0.0182     -0.0066                                   
                                   9       C            -0.0101     -0.0054     -0.0673                                   
                                   10      C            -0.0026     -0.0584     -0.0286                                   
                                   11      C            -0.0045     -0.0540     -0.0561                                   
                                   12      C             0.0635      0.0276     -0.0227                                   
                                   13      C             0.0239      0.0105      0.0008                                   
                                   14      C             0.0069      0.0129     -0.0278                                   
                                   15      C            -0.0076      0.0341      0.0552                                   
                                   16      C             0.0510      0.0086      0.0619                                   
                                   17      C             0.0249      0.0278      0.0115                                   
                                   18      C             0.0060     -0.0111      0.0161                                   
                                   19      C             0.0281      0.0219      0.0005                                   
                                   20      C             0.0034     -0.0102      0.0078                                   
                                   21      C             0.0150      0.0197     -0.0008                                   
                                   22      C             0.0068     -0.0283      0.0091                                   
                                   23      C            -0.0041     -0.0034     -0.0002                                   
                                   24      H            -0.1952     -0.0941      0.0370                                   
                                   25      H            -0.1431     -0.1042     -0.0220                                   
                                   26      H            -0.0948     -0.1993      0.2543                                   
                                   27      H             0.0678     -0.0134     -0.3772                                   
                                   28      H            -0.1445      0.0020     -0.0268                                   
                                   29      H             0.0942     -0.0208      0.0211                                   
                                   30      H             0.0544     -0.1353     -0.0385                                   
                                   31      H            -0.0513     -0.0080     -0.0056                                   
                                   32      H            -0.0458     -0.0904      0.0181                                   
                                   33      H             0.1432      0.0116     -0.2550                                   
                                   34      H            -0.0671      0.0028      0.0515                                   
                                   35      H             0.0765      0.0606     -0.0994                                   
                                   36      H             0.0278     -0.2273     -0.0211                                   
                                   37      H             0.0617     -0.2080      0.0502                                   
                                   38      H             0.0953      0.1690     -0.1655                                   
                                   39      H            -0.0265      0.0630      0.2847                                   
                                   40      H            -0.0791     -0.0224     -0.1055                                   
                                   41      H            -0.0959      0.0126     -0.0188                                   
                                   42      H            -0.0573     -0.0811      0.0766                                   
                                   43      H             0.0189     -0.0020     -0.1447                                   
                                   44      H             0.0995      0.0472     -0.0086                                   
                                   45      H             0.0703      0.1196      0.0054                                   
                                   46      H            -0.0497     -0.0086     -0.0617                                   
                                   47      H            -0.0539     -0.0268     -0.0078                                   
                                   48      H             0.0727     -0.0613     -0.0679                                   
                                   49      H             0.0322      0.1173     -0.0237                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      57                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1000.20  cm**-1                                     
                                   Reduced mass:                       1.8326  amu                                        
                                   Force constant:                     1.0801  mdyne/A                                    
                                   IR intensity:                      11.0217  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0128      0.0127     -0.0072                                   
                                   2       O            -0.0247      0.0053      0.0111                                   
                                   3       O            -0.0247     -0.0070     -0.0028                                   
                                   4       C            -0.0046      0.0676     -0.0163                                   
                                   5       C            -0.0429      0.0401     -0.0012                                   
                                   6       C            -0.0051      0.0040     -0.0220                                   
                                   7       C            -0.0217     -0.0672     -0.0118                                   
                                   8       C            -0.0071     -0.0138      0.0443                                   
                                   9       C             0.0298     -0.0101      0.0569                                   
                                   10      C             0.0035     -0.0477     -0.0093                                   
                                   11      C            -0.0713     -0.0341      0.0070                                   
                                   12      C            -0.0610     -0.0767     -0.0153                                   
                                   13      C             0.0584      0.0451      0.0147                                   
                                   14      C            -0.0018      0.0861      0.0221                                   
                                   15      C             0.0605     -0.0671      0.0109                                   
                                   16      C             0.0429     -0.0612     -0.0473                                   
                                   17      C             0.0271      0.0210     -0.0014                                   
                                   18      C            -0.0041      0.0141     -0.0195                                   
                                   19      C             0.0257      0.0213     -0.0032                                   
                                   20      C            -0.0028     -0.0232      0.0059                                   
                                   21      C             0.0103      0.0081     -0.0036                                   
                                   22      C             0.0035     -0.0141      0.0048                                   
                                   23      C             0.0023     -0.0032      0.0016                                   
                                   24      H             0.0321      0.1047      0.0120                                   
                                   25      H            -0.1134      0.1080     -0.0999                                   
                                   26      H            -0.0060      0.1361     -0.0872                                   
                                   27      H             0.2022     -0.1284      0.0705                                   
                                   28      H            -0.1375      0.0752      0.0890                                   
                                   29      H             0.1428     -0.0220     -0.0340                                   
                                   30      H             0.0022      0.0856      0.0076                                   
                                   31      H            -0.2615      0.0233     -0.1610                                   
                                   32      H             0.0078      0.2115      0.0164                                   
                                   33      H             0.1372     -0.2266      0.1061                                   
                                   34      H             0.0185      0.1919      0.0057                                   
                                   35      H             0.0302      0.0090     -0.1215                                   
                                   36      H            -0.0204      0.2609      0.0175                                   
                                   37      H             0.0345      0.1562      0.0137                                   
                                   38      H             0.1573     -0.0498      0.1990                                   
                                   39      H            -0.0487      0.1158      0.1591                                   
                                   40      H            -0.0924     -0.0205     -0.4082                                   
                                   41      H            -0.0864      0.0846      0.0951                                   
                                   42      H            -0.0484     -0.0444      0.0476                                   
                                   43      H             0.0287     -0.0046     -0.1109                                   
                                   44      H             0.0156      0.0350     -0.0005                                   
                                   45      H             0.0191      0.0371     -0.0073                                   
                                   46      H             0.0396     -0.0259      0.0538                                   
                                   47      H            -0.0594     -0.0126     -0.0144                                   
                                   48      H             0.0579     -0.0524     -0.0526                                   
                                   49      H             0.0333      0.1012     -0.0188                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      58                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1023.95  cm**-1                                     
                                   Reduced mass:                       1.7049  amu                                        
                                   Force constant:                     1.0532  mdyne/A                                    
                                   IR intensity:                       6.3201  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0096      0.0149     -0.0053                                   
                                   2       O            -0.0054      0.0004      0.0042                                   
                                   3       O            -0.0200      0.0104     -0.0070                                   
                                   4       C             0.0851      0.0113     -0.0336                                   
                                   5       C             0.0523     -0.0109      0.0574                                   
                                   6       C             0.0525     -0.0237     -0.0223                                   
                                   7       C            -0.0795      0.0237      0.0252                                   
                                   8       C            -0.0312     -0.0183     -0.0117                                   
                                   9       C            -0.0368      0.0022      0.0272                                   
                                   10      C            -0.0179     -0.0114      0.0145                                   
                                   11      C             0.0318     -0.0014     -0.0297                                   
                                   12      C            -0.0420     -0.0074     -0.0635                                   
                                   13      C             0.0328      0.0021      0.0747                                   
                                   14      C             0.0144     -0.0143     -0.0636                                   
                                   15      C            -0.0665      0.0236      0.0418                                   
                                   16      C            -0.0433     -0.0057     -0.0110                                   
                                   17      C             0.0035      0.0005     -0.0068                                   
                                   18      C             0.0020      0.0050     -0.0144                                   
                                   19      C             0.0283      0.0211      0.0150                                   
                                   20      C             0.0057     -0.0144      0.0045                                   
                                   21      C             0.0205      0.0200     -0.0022                                   
                                   22      C             0.0038     -0.0356      0.0081                                   
                                   23      C             0.0051     -0.0064      0.0022                                   
                                   24      H             0.1388     -0.0263      0.0613                                   
                                   25      H             0.0714     -0.1032     -0.0034                                   
                                   26      H            -0.3313      0.2412      0.1959                                   
                                   27      H            -0.0243      0.0145      0.0747                                   
                                   28      H            -0.1815      0.0478      0.0184                                   
                                   29      H             0.0446     -0.0231     -0.0422                                   
                                   30      H             0.1908     -0.1788      0.0010                                   
                                   31      H            -0.0522      0.0681      0.0436                                   
                                   32      H             0.0810      0.1874     -0.0844                                   
                                   33      H             0.1182     -0.1450      0.0818                                   
                                   34      H             0.0321      0.2420      0.0212                                   
                                   35      H            -0.1783     -0.2202      0.0176                                   
                                   36      H             0.0033     -0.0773     -0.0520                                   
                                   37      H             0.1213     -0.1645      0.0474                                   
                                   38      H            -0.1752      0.0289     -0.2349                                   
                                   39      H             0.0266     -0.0015     -0.2625                                   
                                   40      H             0.0703      0.0416      0.0774                                   
                                   41      H             0.0868      0.0247      0.1064                                   
                                   42      H            -0.0182      0.0082     -0.0020                                   
                                   43      H             0.0430     -0.0225     -0.0096                                   
                                   44      H             0.0815      0.0670     -0.0065                                   
                                   45      H            -0.0230     -0.0613     -0.0067                                   
                                   46      H             0.0056     -0.0049      0.0220                                   
                                   47      H            -0.1996     -0.0282     -0.0339                                   
                                   48      H             0.0179     -0.0160     -0.0168                                   
                                   49      H             0.0575      0.1711     -0.0287                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      59                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1030.90  cm**-1                                     
                                   Reduced mass:                       2.1268  amu                                        
                                   Force constant:                     1.3317  mdyne/A                                    
                                   IR intensity:                      27.2963  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0225     -0.0253      0.0242                                   
                                   2       O             0.0738     -0.0184     -0.0437                                   
                                   3       O            -0.0117      0.0103     -0.0047                                   
                                   4       C             0.0929     -0.0399      0.0334                                   
                                   5       C            -0.0435      0.0543      0.0122                                   
                                   6       C            -0.0808     -0.0165      0.0028                                   
                                   7       C             0.0658     -0.0295     -0.0158                                   
                                   8       C            -0.0097     -0.0626     -0.0757                                   
                                   9       C            -0.0119      0.0020      0.0170                                   
                                   10      C            -0.0320      0.1548      0.0090                                   
                                   11      C             0.0322      0.0198      0.0520                                   
                                   12      C            -0.0004     -0.0294     -0.0019                                   
                                   13      C             0.0329      0.0286     -0.0224                                   
                                   14      C            -0.0075      0.0055      0.0074                                   
                                   15      C            -0.0584     -0.0089     -0.0340                                   
                                   16      C             0.0243     -0.0256     -0.0080                                   
                                   17      C            -0.0556     -0.0375      0.0674                                   
                                   18      C            -0.0005      0.0065     -0.0081                                   
                                   19      C             0.0241      0.0106     -0.0013                                   
                                   20      C            -0.0003     -0.0119      0.0035                                   
                                   21      C             0.0126      0.0136     -0.0014                                   
                                   22      C             0.0013     -0.0256      0.0069                                   
                                   23      C             0.0061     -0.0055      0.0030                                   
                                   24      H            -0.0076      0.1551      0.0189                                   
                                   25      H            -0.0805     -0.0511     -0.0061                                   
                                   26      H            -0.2063      0.0568      0.2087                                   
                                   27      H             0.2354     -0.1287     -0.1934                                   
                                   28      H             0.3352     -0.0091     -0.0093                                   
                                   29      H            -0.3725      0.0597     -0.1802                                   
                                   30      H            -0.0099      0.0813      0.0398                                   
                                   31      H             0.0262      0.0076      0.0083                                   
                                   32      H            -0.0127      0.0415      0.0218                                   
                                   33      H             0.0703     -0.0727     -0.0047                                   
                                   34      H             0.0023      0.0701     -0.0142                                   
                                   35      H             0.1301      0.1254     -0.1371                                   
                                   36      H             0.0106      0.0553      0.0047                                   
                                   37      H            -0.0880      0.0144     -0.0335                                   
                                   38      H            -0.1331     -0.0646     -0.0211                                   
                                   39      H            -0.0193      0.0692      0.0759                                   
                                   40      H            -0.0451     -0.0075     -0.1847                                   
                                   41      H            -0.0432      0.0437      0.0548                                   
                                   42      H             0.1271     -0.0104     -0.0094                                   
                                   43      H            -0.1279      0.0331      0.1734                                   
                                   44      H             0.0496      0.0421     -0.0109                                   
                                   45      H            -0.1345     -0.2229     -0.0042                                   
                                   46      H            -0.0000     -0.0054      0.0151                                   
                                   47      H            -0.1687     -0.0205     -0.0322                                   
                                   48      H            -0.1117      0.1096      0.0806                                   
                                   49      H             0.0456      0.1251     -0.0227                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      60                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1043.35  cm**-1                                     
                                   Reduced mass:                       2.0259  amu                                        
                                   Force constant:                     1.2994  mdyne/A                                    
                                   IR intensity:                      11.5657  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0261      0.0291     -0.0102                                   
                                   2       O            -0.0217      0.0038      0.0094                                   
                                   3       O             0.0359      0.0008      0.0074                                   
                                   4       C             0.0549      0.0155      0.0505                                   
                                   5       C            -0.0159      0.0525      0.0265                                   
                                   6       C            -0.0298     -0.0137      0.0113                                   
                                   7       C             0.0128     -0.0229     -0.0320                                   
                                   8       C            -0.0448      0.0165     -0.0336                                   
                                   9       C             0.0158     -0.0188     -0.0207                                   
                                   10      C            -0.0587     -0.0524     -0.0188                                   
                                   11      C             0.0205     -0.0621      0.0648                                   
                                   12      C            -0.0590     -0.0415      0.0125                                   
                                   13      C             0.0724      0.0455     -0.0173                                   
                                   14      C             0.0479     -0.0776      0.0600                                   
                                   15      C            -0.0364      0.0758     -0.0693                                   
                                   16      C            -0.0348      0.0206      0.0105                                   
                                   17      C             0.0324      0.0084      0.0139                                   
                                   18      C            -0.0041      0.0016      0.0056                                   
                                   19      C            -0.0300     -0.0523     -0.0178                                   
                                   20      C            -0.0005      0.0309     -0.0095                                   
                                   21      C            -0.0468     -0.0372      0.0023                                   
                                   22      C            -0.0171      0.0808     -0.0212                                   
                                   23      C            -0.0003      0.0082     -0.0016                                   
                                   24      H            -0.0934      0.1191      0.0175                                   
                                   25      H             0.0093      0.0218      0.0396                                   
                                   26      H            -0.1264      0.1000      0.0617                                   
                                   27      H             0.2254     -0.1209     -0.1266                                   
                                   28      H            -0.1563     -0.0166     -0.0627                                   
                                   29      H             0.0941     -0.0329      0.0248                                   
                                   30      H            -0.0010      0.2128      0.0416                                   
                                   31      H             0.2468     -0.2349     -0.1018                                   
                                   32      H             0.0108      0.1071      0.0060                                   
                                   33      H             0.0248     -0.1102      0.1090                                   
                                   34      H             0.0779      0.2078     -0.0548                                   
                                   35      H             0.0799      0.0493     -0.1487                                   
                                   36      H             0.1565     -0.0893      0.0470                                   
                                   37      H            -0.0285      0.0605     -0.0624                                   
                                   38      H            -0.0375      0.0625     -0.0600                                   
                                   39      H             0.0242     -0.0436     -0.1487                                   
                                   40      H             0.0644      0.0196      0.1973                                   
                                   41      H             0.0677     -0.0261      0.0008                                   
                                   42      H            -0.0852     -0.0461      0.0683                                   
                                   43      H             0.1416     -0.0814     -0.1246                                   
                                   44      H            -0.1170     -0.0713      0.0237                                   
                                   45      H             0.0390      0.0707     -0.0087                                   
                                   46      H             0.0763     -0.0199     -0.0107                                   
                                   47      H             0.1217      0.0764      0.0096                                   
                                   48      H             0.1142     -0.0929     -0.1025                                   
                                   49      H            -0.1197     -0.3933      0.0666                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      61                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1048.28  cm**-1                                     
                                   Reduced mass:                       1.9102  amu                                        
                                   Force constant:                     1.2368  mdyne/A                                    
                                   IR intensity:                       6.4554  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0299     -0.0492      0.0078                                   
                                   2       O            -0.0103      0.0051      0.0011                                   
                                   3       O             0.0190      0.0126      0.0008                                   
                                   4       C            -0.0398     -0.0217     -0.0868                                   
                                   5       C            -0.0165     -0.0219      0.0294                                   
                                   6       C            -0.0568      0.0144      0.0092                                   
                                   7       C             0.0633      0.0355      0.0324                                   
                                   8       C            -0.0113      0.0137      0.0945                                   
                                   9       C            -0.0060     -0.0201      0.1006                                   
                                   10      C             0.0956      0.0205     -0.0659                                   
                                   11      C             0.0122      0.0022     -0.0032                                   
                                   12      C            -0.0213      0.0302     -0.0471                                   
                                   13      C             0.0419     -0.0405      0.0415                                   
                                   14      C             0.0353     -0.0365     -0.0015                                   
                                   15      C            -0.0219      0.0149     -0.0016                                   
                                   16      C            -0.0069      0.0241     -0.0684                                   
                                   17      C             0.0114     -0.0052      0.0019                                   
                                   18      C            -0.0047      0.0193     -0.0127                                   
                                   19      C            -0.0127     -0.0245      0.0058                                   
                                   20      C             0.0082      0.0199     -0.0082                                   
                                   21      C            -0.0248     -0.0204     -0.0017                                   
                                   22      C            -0.0074      0.0320     -0.0105                                   
                                   23      C             0.0069     -0.0011      0.0015                                   
                                   24      H             0.1672      0.0383      0.0504                                   
                                   25      H            -0.4064      0.1432     -0.2599                                   
                                   26      H             0.1233     -0.2334      0.0505                                   
                                   27      H            -0.0109      0.0163     -0.1867                                   
                                   28      H             0.0667      0.0412      0.1143                                   
                                   29      H            -0.1501      0.0592      0.0388                                   
                                   30      H             0.2013     -0.1099      0.0241                                   
                                   31      H             0.0315     -0.0099     -0.0026                                   
                                   32      H            -0.0427      0.1322     -0.0003                                   
                                   33      H             0.0500     -0.0332      0.0106                                   
                                   34      H            -0.1093      0.1278      0.0902                                   
                                   35      H            -0.0320     -0.1179     -0.1498                                   
                                   36      H             0.0105      0.1939     -0.0027                                   
                                   37      H             0.2051      0.0934      0.0185                                   
                                   38      H            -0.2351     -0.1220     -0.0456                                   
                                   39      H             0.0070     -0.0694     -0.0432                                   
                                   40      H            -0.0050     -0.0339      0.0961                                   
                                   41      H            -0.0111     -0.0771     -0.2148                                   
                                   42      H             0.0215      0.0152     -0.0085                                   
                                   43      H            -0.0797      0.0486      0.0173                                   
                                   44      H            -0.0491     -0.0049      0.0058                                   
                                   45      H             0.0600      0.1339      0.0189                                   
                                   46      H             0.1249     -0.0325      0.0360                                   
                                   47      H            -0.0342      0.0341     -0.0093                                   
                                   48      H            -0.0517      0.0358      0.0515                                   
                                   49      H            -0.0484     -0.1838      0.0360                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      62                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1063.16  cm**-1                                     
                                   Reduced mass:                       1.8032  amu                                        
                                   Force constant:                     1.2009  mdyne/A                                    
                                   IR intensity:                      22.3420  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0190      0.0285     -0.0106                                   
                                   2       O            -0.0376      0.0088      0.0269                                   
                                   3       O             0.0143      0.0748     -0.0151                                   
                                   4       C             0.0091     -0.0343     -0.0158                                   
                                   5       C            -0.0313     -0.0160     -0.0401                                   
                                   6       C             0.0013      0.0002      0.0027                                   
                                   7       C             0.0030      0.0024      0.0177                                   
                                   8       C             0.0086      0.0537     -0.0171                                   
                                   9       C            -0.0072     -0.0088      0.0464                                   
                                   10      C            -0.0339     -0.0630      0.0258                                   
                                   11      C             0.0935      0.0141      0.0719                                   
                                   12      C             0.0188      0.0172      0.0268                                   
                                   13      C            -0.0142     -0.0013     -0.0232                                   
                                   14      C            -0.0495     -0.0074      0.0152                                   
                                   15      C            -0.0792     -0.0242     -0.0699                                   
                                   16      C             0.0390     -0.0028     -0.0275                                   
                                   17      C             0.0340      0.0038     -0.0378                                   
                                   18      C            -0.0017      0.0145     -0.0068                                   
                                   19      C             0.0138     -0.0172      0.0108                                   
                                   20      C             0.0035      0.0084     -0.0023                                   
                                   21      C            -0.0003     -0.0028     -0.0008                                   
                                   22      C            -0.0022     -0.0581      0.0125                                   
                                   23      C             0.0454     -0.0292      0.0175                                   
                                   24      H            -0.0220      0.0248     -0.0328                                   
                                   25      H             0.1055      0.0269      0.0858                                   
                                   26      H             0.0098     -0.0318      0.0221                                   
                                   27      H            -0.0622      0.0316      0.0508                                   
                                   28      H            -0.1322     -0.0641     -0.1036                                   
                                   29      H             0.1037     -0.0191      0.1306                                   
                                   30      H             0.1480      0.0447      0.0696                                   
                                   31      H             0.2291     -0.0787      0.0353                                   
                                   32      H            -0.0551     -0.0713      0.0500                                   
                                   33      H            -0.0125      0.0589     -0.0872                                   
                                   34      H            -0.0374     -0.1148      0.0158                                   
                                   35      H             0.0328      0.0495      0.0257                                   
                                   36      H            -0.0827      0.2509      0.0095                                   
                                   37      H            -0.0886      0.1101     -0.0618                                   
                                   38      H            -0.2746     -0.1885      0.0229                                   
                                   39      H            -0.0208      0.0190      0.1658                                   
                                   40      H            -0.0704     -0.0406     -0.1277                                   
                                   41      H            -0.0771     -0.0190     -0.1124                                   
                                   42      H            -0.0556      0.0165     -0.0083                                   
                                   43      H             0.1483     -0.0701     -0.0638                                   
                                   44      H            -0.0221      0.0020     -0.0007                                   
                                   45      H             0.0342      0.0547     -0.0046                                   
                                   46      H             0.0614     -0.0206      0.0107                                   
                                   47      H            -0.5707     -0.0435     -0.1128                                   
                                   48      H             0.0781     -0.0718     -0.0575                                   
                                   49      H             0.1028      0.1623     -0.0159                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      63                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1066.85  cm**-1                                     
                                   Reduced mass:                       1.7579  amu                                        
                                   Force constant:                     1.1788  mdyne/A                                    
                                   IR intensity:                      36.2492  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0111     -0.0378     -0.0031                                   
                                   2       O            -0.0300      0.0079      0.0088                                   
                                   3       O            -0.0058      0.0215     -0.0067                                   
                                   4       C            -0.0380     -0.0256      0.0716                                   
                                   5       C             0.0617      0.0721      0.0127                                   
                                   6       C            -0.0115      0.0181      0.0298                                   
                                   7       C             0.0182      0.0101     -0.0468                                   
                                   8       C            -0.0669      0.0126      0.0516                                   
                                   9       C             0.0124      0.0381     -0.0337                                   
                                   10      C             0.0163      0.0026     -0.1174                                   
                                   11      C             0.0310      0.0121      0.0019                                   
                                   12      C            -0.0230     -0.0325     -0.0273                                   
                                   13      C             0.0260     -0.0077      0.0277                                   
                                   14      C            -0.0530     -0.0187     -0.0256                                   
                                   15      C             0.0082      0.0005     -0.0029                                   
                                   16      C            -0.0273     -0.0175      0.0156                                   
                                   17      C             0.0453     -0.0116      0.0279                                   
                                   18      C             0.0038     -0.0119      0.0019                                   
                                   19      C             0.0083      0.0180      0.0109                                   
                                   20      C            -0.0085     -0.0188      0.0064                                   
                                   21      C             0.0293      0.0175      0.0017                                   
                                   22      C             0.0037     -0.0589      0.0146                                   
                                   23      C             0.0133     -0.0108      0.0056                                   
                                   24      H             0.0569     -0.0001      0.0108                                   
                                   25      H            -0.0894     -0.0534     -0.0398                                   
                                   26      H             0.2455     -0.1196     -0.2172                                   
                                   27      H            -0.0451      0.0353     -0.0244                                   
                                   28      H             0.1746     -0.0025      0.0610                                   
                                   29      H            -0.2083      0.0542      0.0118                                   
                                   30      H            -0.2207      0.0735     -0.0292                                   
                                   31      H             0.2203     -0.0692      0.0881                                   
                                   32      H             0.0681      0.0945     -0.0524                                   
                                   33      H            -0.0682     -0.0304      0.1582                                   
                                   34      H             0.0345      0.1534     -0.0112                                   
                                   35      H             0.0323     -0.0044     -0.1062                                   
                                   36      H            -0.0985     -0.2430     -0.0161                                   
                                   37      H            -0.2146     -0.1204     -0.0233                                   
                                   38      H             0.1155      0.0697      0.0128                                   
                                   39      H             0.0027      0.0015     -0.0989                                   
                                   40      H             0.0422      0.0356      0.0014                                   
                                   41      H             0.0510      0.0487      0.1516                                   
                                   42      H            -0.0742     -0.0345      0.0694                                   
                                   43      H             0.1325     -0.0837     -0.0997                                   
                                   44      H             0.0203     -0.0017     -0.0022                                   
                                   45      H             0.1381      0.2644      0.0201                                   
                                   46      H            -0.1114      0.0418     -0.0020                                   
                                   47      H            -0.2309     -0.0541     -0.0415                                   
                                   48      H             0.0784     -0.0689     -0.0683                                   
                                   49      H             0.1039      0.2914     -0.0480                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      64                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1078.75  cm**-1                                     
                                   Reduced mass:                       1.9200  amu                                        
                                   Force constant:                     1.3164  mdyne/A                                    
                                   IR intensity:                      68.6227  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0004     -0.0015     -0.0035                                   
                                   2       O            -0.0578      0.0136      0.0405                                   
                                   3       O            -0.0315     -0.1306      0.0260                                   
                                   4       C             0.0217     -0.0514     -0.0199                                   
                                   5       C            -0.0008      0.0171     -0.0065                                   
                                   6       C            -0.0055     -0.0027      0.0077                                   
                                   7       C             0.0049      0.0089      0.0117                                   
                                   8       C            -0.0125      0.0304      0.0031                                   
                                   9       C            -0.0249      0.0241      0.0230                                   
                                   10      C            -0.0038     -0.0112     -0.0086                                   
                                   11      C             0.0561      0.0214      0.0475                                   
                                   12      C             0.0066      0.0006      0.0011                                   
                                   13      C            -0.0003     -0.0045     -0.0021                                   
                                   14      C             0.0201      0.0055      0.0033                                   
                                   15      C            -0.0712     -0.0281     -0.0329                                   
                                   16      C             0.0230     -0.0235     -0.0120                                   
                                   17      C             0.0638     -0.0205     -0.0477                                   
                                   18      C            -0.0003      0.0081     -0.0085                                   
                                   19      C             0.0062      0.0552     -0.0180                                   
                                   20      C            -0.0044     -0.0398      0.0095                                   
                                   21      C             0.0548      0.0453      0.0012                                   
                                   22      C             0.0023      0.0311     -0.0067                                   
                                   23      C            -0.0776      0.0586     -0.0317                                   
                                   24      H             0.0520      0.0964      0.0031                                   
                                   25      H             0.0322     -0.0202      0.0350                                   
                                   26      H            -0.0322     -0.0181      0.0538                                   
                                   27      H            -0.0537      0.0298      0.0175                                   
                                   28      H             0.0395     -0.0455     -0.0412                                   
                                   29      H            -0.1324      0.0335      0.0679                                   
                                   30      H             0.0944      0.0130      0.0477                                   
                                   31      H             0.1374     -0.0319      0.0388                                   
                                   32      H             0.0017     -0.0090      0.0011                                   
                                   33      H             0.0234     -0.0010     -0.0441                                   
                                   34      H            -0.0092     -0.0134      0.0053                                   
                                   35      H             0.0073      0.0039     -0.0042                                   
                                   36      H             0.0417      0.0834     -0.0002                                   
                                   37      H            -0.0727     -0.0059     -0.0304                                   
                                   38      H            -0.2532     -0.1577     -0.0206                                   
                                   39      H            -0.0181      0.0503      0.0783                                   
                                   40      H            -0.0399     -0.0086     -0.1650                                   
                                   41      H            -0.0430      0.0333      0.0332                                   
                                   42      H            -0.0209      0.0278     -0.0292                                   
                                   43      H             0.1910     -0.0943     -0.0351                                   
                                   44      H             0.1816      0.1205     -0.0505                                   
                                   45      H             0.0406      0.0742      0.0045                                   
                                   46      H            -0.1585      0.0583      0.0073                                   
                                   47      H             0.6896      0.0168      0.1493                                   
                                   48      H             0.0471     -0.0577     -0.0288                                   
                                   49      H            -0.0282      0.2199     -0.0637                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      65                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1085.88  cm**-1                                     
                                   Reduced mass:                       1.5010  amu                                        
                                   Force constant:                     1.0428  mdyne/A                                    
                                   IR intensity:                       3.9040  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0006      0.0160      0.0021                                   
                                   2       O             0.0303     -0.0066     -0.0172                                   
                                   3       O            -0.0046     -0.0224      0.0047                                   
                                   4       C             0.0442      0.0310      0.0300                                   
                                   5       C             0.0289     -0.0580      0.0164                                   
                                   6       C            -0.0243      0.0608     -0.0173                                   
                                   7       C             0.0296     -0.0230     -0.0201                                   
                                   8       C            -0.0119     -0.0033     -0.0374                                   
                                   9       C             0.0182      0.0200     -0.0361                                   
                                   10      C             0.0401     -0.0191      0.0628                                   
                                   11      C             0.0444     -0.0113      0.0479                                   
                                   12      C            -0.0343      0.0374     -0.0145                                   
                                   13      C             0.0078     -0.0407      0.0255                                   
                                   14      C            -0.0236      0.0008      0.0042                                   
                                   15      C            -0.0402     -0.0070     -0.0400                                   
                                   16      C            -0.0126     -0.0079      0.0159                                   
                                   17      C            -0.0421      0.0195     -0.0067                                   
                                   18      C             0.0024     -0.0047      0.0043                                   
                                   19      C            -0.0002      0.0119     -0.0041                                   
                                   20      C            -0.0033     -0.0147      0.0051                                   
                                   21      C             0.0254      0.0137      0.0033                                   
                                   22      C            -0.0028     -0.0115      0.0025                                   
                                   23      C            -0.0115      0.0127     -0.0055                                   
                                   24      H            -0.0437     -0.2461      0.0010                                   
                                   25      H            -0.3145      0.3306     -0.2268                                   
                                   26      H             0.2212     -0.0851     -0.1788                                   
                                   27      H             0.1073     -0.0562     -0.0586                                   
                                   28      H            -0.4013      0.0615     -0.0271                                   
                                   29      H             0.2124     -0.0632      0.0043                                   
                                   30      H            -0.0289      0.1135      0.0282                                   
                                   31      H             0.1314     -0.0772     -0.0076                                   
                                   32      H            -0.0561      0.0869      0.0210                                   
                                   33      H            -0.0173      0.0086      0.0515                                   
                                   34      H            -0.1137     -0.0030      0.0865                                   
                                   35      H            -0.0770     -0.1243     -0.0301                                   
                                   36      H            -0.0011     -0.0536      0.0021                                   
                                   37      H            -0.1772     -0.0324     -0.0480                                   
                                   38      H             0.0187      0.0125      0.0224                                   
                                   39      H             0.0029     -0.0127     -0.0316                                   
                                   40      H             0.0217      0.0174      0.0094                                   
                                   41      H             0.0256      0.0250      0.0829                                   
                                   42      H             0.0399      0.0242     -0.0340                                   
                                   43      H            -0.1893      0.1149      0.0628                                   
                                   44      H             0.0201      0.0056      0.0021                                   
                                   45      H            -0.1053     -0.1913     -0.0157                                   
                                   46      H            -0.0987      0.0345     -0.0186                                   
                                   47      H             0.0525     -0.0131      0.0129                                   
                                   48      H            -0.0742      0.0673      0.0628                                   
                                   49      H             0.0400      0.1824     -0.0373                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      66                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1089.81  cm**-1                                     
                                   Reduced mass:                       1.9987  amu                                        
                                   Force constant:                     1.3986  mdyne/A                                    
                                   IR intensity:                      28.2221  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0364      0.0639      0.0019                                   
                                   2       O             0.0052     -0.0015     -0.0049                                   
                                   3       O            -0.0029     -0.0071      0.0010                                   
                                   4       C            -0.0241     -0.0049      0.0124                                   
                                   5       C             0.0185     -0.0312     -0.0086                                   
                                   6       C            -0.0393      0.0670     -0.0160                                   
                                   7       C             0.0729     -0.0135      0.0221                                   
                                   8       C             0.0605     -0.0201     -0.0464                                   
                                   9       C             0.0093      0.0029      0.0369                                   
                                   10      C            -0.2087      0.0211      0.0056                                   
                                   11      C            -0.0135      0.0115     -0.0444                                   
                                   12      C            -0.0367      0.0281     -0.0153                                   
                                   13      C             0.0234     -0.0470      0.0329                                   
                                   14      C             0.0122      0.0096     -0.0266                                   
                                   15      C             0.0076     -0.0067      0.0389                                   
                                   16      C            -0.0103      0.0031     -0.0216                                   
                                   17      C             0.0041     -0.0188      0.0644                                   
                                   18      C            -0.0017      0.0019     -0.0053                                   
                                   19      C            -0.0009      0.0076      0.0067                                   
                                   20      C             0.0019     -0.0030      0.0004                                   
                                   21      C             0.0032     -0.0003     -0.0011                                   
                                   22      C             0.0006      0.0028     -0.0012                                   
                                   23      C            -0.0044      0.0021     -0.0019                                   
                                   24      H             0.0949     -0.1412      0.0001                                   
                                   25      H            -0.0276      0.1913      0.0032                                   
                                   26      H             0.2276     -0.2061     -0.0673                                   
                                   27      H            -0.0340      0.0163     -0.0261                                   
                                   28      H             0.3469     -0.0851     -0.0614                                   
                                   29      H             0.1612     -0.0401     -0.0516                                   
                                   30      H             0.0351     -0.1325     -0.0262                                   
                                   31      H            -0.0797      0.0743      0.0445                                   
                                   32      H            -0.0593      0.1008      0.0241                                   
                                   33      H            -0.0644      0.0304      0.0663                                   
                                   34      H            -0.1371      0.0399      0.1058                                   
                                   35      H            -0.0186     -0.0855     -0.1145                                   
                                   36      H            -0.0347      0.0445     -0.0207                                   
                                   37      H             0.0934     -0.0374      0.0412                                   
                                   38      H            -0.0310     -0.0144     -0.0231                                   
                                   39      H             0.0058     -0.0351     -0.0452                                   
                                   40      H             0.0100     -0.0023      0.0306                                   
                                   41      H             0.0115     -0.0125     -0.0332                                   
                                   42      H            -0.1269     -0.0385      0.1018                                   
                                   43      H             0.3684     -0.2470     -0.0962                                   
                                   44      H            -0.0356     -0.0169      0.0098                                   
                                   45      H            -0.1396     -0.2535     -0.0310                                   
                                   46      H             0.0411     -0.0168      0.0226                                   
                                   47      H             0.0457      0.0022      0.0108                                   
                                   48      H             0.2314     -0.1664     -0.2111                                   
                                   49      H            -0.0035      0.0069     -0.0012                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      67                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1090.06  cm**-1                                     
                                   Reduced mass:                       3.0660  amu                                        
                                   Force constant:                     2.1465  mdyne/A                                    
                                   IR intensity:                      41.8395  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0241     -0.0052      0.0154                                   
                                   2       O            -0.1653      0.0345      0.1313                                   
                                   3       O             0.0052      0.0364     -0.0081                                   
                                   4       C             0.0487      0.0035      0.0217                                   
                                   5       C             0.0032     -0.0380      0.0098                                   
                                   6       C            -0.0226      0.0355     -0.0190                                   
                                   7       C             0.0336     -0.0240     -0.0222                                   
                                   8       C            -0.0064     -0.0148     -0.0575                                   
                                   9       C             0.0092     -0.0063     -0.0351                                   
                                   10      C             0.0464      0.0760      0.0773                                   
                                   11      C            -0.0452      0.0136     -0.0125                                   
                                   12      C            -0.0121      0.0209      0.0053                                   
                                   13      C             0.0017     -0.0200      0.0028                                   
                                   14      C            -0.0061      0.0157     -0.0011                                   
                                   15      C             0.0403      0.0061      0.0199                                   
                                   16      C            -0.0089      0.0065      0.0210                                   
                                   17      C             0.1990     -0.0855     -0.1971                                   
                                   18      C             0.0019     -0.0080      0.0074                                   
                                   19      C            -0.0025     -0.0148      0.0028                                   
                                   20      C             0.0021      0.0118     -0.0022                                   
                                   21      C            -0.0176     -0.0143      0.0001                                   
                                   22      C             0.0013     -0.0064      0.0021                                   
                                   23      C             0.0220     -0.0182      0.0094                                   
                                   24      H            -0.0397     -0.0956      0.0008                                   
                                   25      H            -0.1551      0.1761     -0.1183                                   
                                   26      H            -0.1131      0.0680      0.0842                                   
                                   27      H             0.1920     -0.1024     -0.1324                                   
                                   28      H             0.1191     -0.0246     -0.0504                                   
                                   29      H            -0.3175      0.0566     -0.0485                                   
                                   30      H            -0.1392      0.0454     -0.0237                                   
                                   31      H            -0.1720      0.0830     -0.0247                                   
                                   32      H             0.0088     -0.0160     -0.0171                                   
                                   33      H            -0.0501      0.0463     -0.0009                                   
                                   34      H            -0.0358     -0.0054      0.0205                                   
                                   35      H            -0.0643     -0.0840      0.0162                                   
                                   36      H             0.0051     -0.0854      0.0001                                   
                                   37      H            -0.0112     -0.0153      0.0138                                   
                                   38      H             0.1714      0.0984      0.0239                                   
                                   39      H             0.0097     -0.0070     -0.0384                                   
                                   40      H             0.0208      0.0116      0.0589                                   
                                   41      H             0.0228     -0.0007      0.0267                                   
                                   42      H             0.1935      0.0971     -0.2181                                   
                                   43      H             0.3104     -0.1127      0.0908                                   
                                   44      H            -0.0582     -0.0467      0.0176                                   
                                   45      H            -0.1608     -0.3021     -0.0062                                   
                                   46      H             0.0340     -0.0148     -0.0134                                   
                                   47      H            -0.1576     -0.0038     -0.0356                                   
                                   48      H            -0.1175      0.0148      0.1376                                   
                                   49      H            -0.0023     -0.0979      0.0243                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      68                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1113.32  cm**-1                                     
                                   Reduced mass:                       1.9475  amu                                        
                                   Force constant:                     1.4222  mdyne/A                                    
                                   IR intensity:                      11.4232  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0048     -0.0328     -0.0147                                   
                                   2       O             0.0085      0.0018     -0.0150                                   
                                   3       O            -0.0110      0.0053     -0.0037                                   
                                   4       C             0.1238     -0.0367      0.0347                                   
                                   5       C             0.0080     -0.0978     -0.0204                                   
                                   6       C            -0.0228      0.0387      0.0579                                   
                                   7       C            -0.0016     -0.0168     -0.0379                                   
                                   8       C            -0.0625      0.0042     -0.0018                                   
                                   9       C             0.0515      0.0146     -0.0418                                   
                                   10      C             0.0244     -0.0195     -0.0633                                   
                                   11      C             0.0131      0.0436     -0.0099                                   
                                   12      C            -0.0430      0.0594      0.0690                                   
                                   13      C             0.0252     -0.0122     -0.0470                                   
                                   14      C             0.0194      0.0974     -0.0161                                   
                                   15      C            -0.0383     -0.0579      0.0316                                   
                                   16      C            -0.0138     -0.0108      0.0203                                   
                                   17      C            -0.0156      0.0062      0.0354                                   
                                   18      C             0.0017     -0.0171      0.0091                                   
                                   19      C             0.0048     -0.0045      0.0013                                   
                                   20      C             0.0009     -0.0007      0.0017                                   
                                   21      C            -0.0085     -0.0130      0.0000                                   
                                   22      C             0.0026      0.0152     -0.0029                                   
                                   23      C             0.0053     -0.0044      0.0021                                   
                                   24      H            -0.1938     -0.2357     -0.0463                                   
                                   25      H             0.0799      0.2104      0.1379                                   
                                   26      H            -0.0713      0.0918     -0.0007                                   
                                   27      H             0.0675     -0.0318      0.0141                                   
                                   28      H            -0.0743      0.0022     -0.0060                                   
                                   29      H            -0.2432      0.0458     -0.0093                                   
                                   30      H             0.1023     -0.1299      0.0127                                   
                                   31      H            -0.3193      0.2403      0.0399                                   
                                   32      H            -0.0611     -0.0392      0.0532                                   
                                   33      H            -0.2109      0.1657      0.0978                                   
                                   34      H             0.0590      0.0452     -0.0713                                   
                                   35      H             0.0070     -0.0210     -0.0204                                   
                                   36      H             0.0288      0.2659     -0.0189                                   
                                   37      H             0.0196     -0.0332      0.0330                                   
                                   38      H            -0.1149     -0.0920     -0.0082                                   
                                   39      H             0.0088      0.0119     -0.0717                                   
                                   40      H             0.0365      0.0251      0.0127                                   
                                   41      H             0.0425      0.0242      0.0993                                   
                                   42      H            -0.1117      0.0227      0.0496                                   
                                   43      H             0.0460     -0.0401     -0.0533                                   
                                   44      H            -0.1564     -0.1176      0.0465                                   
                                   45      H             0.1763      0.3506      0.0107                                   
                                   46      H             0.0410     -0.0261      0.0042                                   
                                   47      H             0.0248      0.0152      0.0027                                   
                                   48      H             0.0844     -0.0548     -0.0722                                   
                                   49      H            -0.0379     -0.1452      0.0280                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      69                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1116.48  cm**-1                                     
                                   Reduced mass:                       1.6241  amu                                        
                                   Force constant:                     1.1928  mdyne/A                                    
                                   IR intensity:                       3.3595  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0006     -0.0069     -0.0028                                   
                                   2       O             0.0035     -0.0007     -0.0037                                   
                                   3       O             0.0353     -0.0529      0.0217                                   
                                   4       C            -0.0269      0.0189     -0.0136                                   
                                   5       C             0.0113     -0.0659     -0.0287                                   
                                   6       C             0.0040     -0.0044      0.0130                                   
                                   7       C             0.0021     -0.0087     -0.0095                                   
                                   8       C             0.0080     -0.0023      0.0073                                   
                                   9       C             0.0165     -0.1039      0.0364                                   
                                   10      C             0.0013     -0.0044     -0.0075                                   
                                   11      C            -0.0254     -0.0023     -0.0109                                   
                                   12      C            -0.0413      0.0283      0.0606                                   
                                   13      C             0.0230      0.0244     -0.0424                                   
                                   14      C            -0.0421     -0.0456      0.0045                                   
                                   15      C             0.0343      0.0395      0.0004                                   
                                   16      C            -0.0064      0.0511     -0.0111                                   
                                   17      C            -0.0021      0.0029      0.0068                                   
                                   18      C            -0.0233      0.0534     -0.0176                                   
                                   19      C            -0.0180      0.0290      0.0054                                   
                                   20      C             0.0096     -0.0073      0.0027                                   
                                   21      C             0.0451      0.0088      0.0011                                   
                                   22      C            -0.0204     -0.0260      0.0002                                   
                                   23      C            -0.0287      0.0394     -0.0166                                   
                                   24      H             0.0150      0.0430     -0.0214                                   
                                   25      H             0.0438      0.1454      0.0486                                   
                                   26      H            -0.2021      0.1140      0.1424                                   
                                   27      H             0.2173     -0.1170     -0.1522                                   
                                   28      H             0.0695     -0.0040      0.0110                                   
                                   29      H             0.0219     -0.0020     -0.0040                                   
                                   30      H            -0.0803      0.0382     -0.0192                                   
                                   31      H             0.0656     -0.0513     -0.0115                                   
                                   32      H            -0.0284     -0.0365      0.0318                                   
                                   33      H            -0.1246      0.0805      0.0779                                   
                                   34      H             0.1003      0.0614     -0.0907                                   
                                   35      H            -0.0204     -0.0146      0.0343                                   
                                   36      H            -0.1916      0.0029      0.0083                                   
                                   37      H             0.0473      0.0367      0.0022                                   
                                   38      H             0.1105      0.0919     -0.0025                                   
                                   39      H             0.0167     -0.0727     -0.0068                                   
                                   40      H             0.0099     -0.0225      0.2079                                   
                                   41      H             0.0063     -0.0972     -0.2124                                   
                                   42      H            -0.0028     -0.0046      0.0081                                   
                                   43      H            -0.0218      0.0112     -0.0084                                   
                                   44      H            -0.1653     -0.0377      0.0229                                   
                                   45      H             0.0341      0.0789     -0.0013                                   
                                   46      H             0.2678     -0.1495      0.0296                                   
                                   47      H             0.0144     -0.0265      0.0084                                   
                                   48      H            -0.0008      0.0022      0.0018                                   
                                   49      H             0.1388      0.5942     -0.1129                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      70                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1140.79  cm**-1                                     
                                   Reduced mass:                       1.3802  amu                                        
                                   Force constant:                     1.0583  mdyne/A                                    
                                   IR intensity:                       0.8984  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0032     -0.0083     -0.0048                                   
                                   2       O             0.0111      0.0026     -0.0125                                   
                                   3       O            -0.0390      0.0425     -0.0194                                   
                                   4       C            -0.0099      0.0110     -0.0474                                   
                                   5       C             0.0378     -0.0536     -0.0067                                   
                                   6       C             0.0331      0.0203      0.0277                                   
                                   7       C            -0.0110     -0.0032     -0.0002                                   
                                   8       C             0.0081     -0.0089      0.0211                                   
                                   9       C            -0.0752     -0.0058      0.0019                                   
                                   10      C             0.0006      0.0079     -0.0162                                   
                                   11      C            -0.0074      0.0036      0.0242                                   
                                   12      C            -0.0023      0.0157      0.0416                                   
                                   13      C            -0.0208     -0.0028     -0.0150                                   
                                   14      C            -0.0116     -0.0141     -0.0016                                   
                                   15      C             0.0137      0.0073     -0.0146                                   
                                   16      C             0.0304      0.0023      0.0042                                   
                                   17      C            -0.0367     -0.0024      0.0263                                   
                                   18      C             0.0145      0.0006      0.0011                                   
                                   19      C             0.0118      0.0208     -0.0035                                   
                                   20      C             0.0037     -0.0072      0.0031                                   
                                   21      C            -0.0081      0.0226     -0.0044                                   
                                   22      C             0.0239     -0.0173      0.0094                                   
                                   23      C             0.0197     -0.0477      0.0163                                   
                                   24      H             0.1247      0.1451      0.0088                                   
                                   25      H            -0.0913      0.3720     -0.0500                                   
                                   26      H            -0.1218      0.0864      0.0759                                   
                                   27      H             0.2224     -0.1163     -0.1411                                   
                                   28      H             0.0848      0.0080      0.0365                                   
                                   29      H            -0.0340      0.0129     -0.0177                                   
                                   30      H            -0.0946      0.1032      0.0044                                   
                                   31      H             0.0980     -0.0688     -0.0204                                   
                                   32      H             0.0736     -0.1002     -0.0428                                   
                                   33      H             0.0257      0.0140     -0.0641                                   
                                   34      H             0.1423      0.0292     -0.1103                                   
                                   35      H            -0.2482     -0.2267      0.2542                                   
                                   36      H            -0.0115     -0.1506      0.0009                                   
                                   37      H            -0.0965     -0.0210     -0.0219                                   
                                   38      H             0.0568      0.0267      0.0201                                   
                                   39      H            -0.0154      0.0328      0.1291                                   
                                   40      H            -0.0523     -0.0236     -0.0781                                   
                                   41      H            -0.0613     -0.0054     -0.0561                                   
                                   42      H            -0.1270      0.0562      0.0259                                   
                                   43      H             0.1478     -0.1033     -0.0100                                   
                                   44      H             0.2902      0.1652     -0.0888                                   
                                   45      H             0.0241      0.0811     -0.0083                                   
                                   46      H            -0.1493      0.0705     -0.0344                                   
                                   47      H             0.0603     -0.0199      0.0168                                   
                                   48      H             0.1225     -0.0801     -0.1043                                   
                                   49      H            -0.0480     -0.2677      0.0562                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      71                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1144.20  cm**-1                                     
                                   Reduced mass:                       1.7481  amu                                        
                                   Force constant:                     1.3484  mdyne/A                                    
                                   IR intensity:                       8.2545  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0047     -0.0036      0.0033                                   
                                   2       O             0.0024      0.0038     -0.0049                                   
                                   3       O             0.0649     -0.0398      0.0241                                   
                                   4       C             0.0152      0.0115     -0.0520                                   
                                   5       C            -0.0151     -0.0045      0.0311                                   
                                   6       C             0.0186     -0.0019      0.0146                                   
                                   7       C            -0.0131      0.0120      0.0194                                   
                                   8       C             0.0107     -0.0174      0.0230                                   
                                   9       C             0.0262      0.0300     -0.0962                                   
                                   10      C            -0.0044      0.0361     -0.0239                                   
                                   11      C            -0.0121     -0.0030      0.0102                                   
                                   12      C             0.0298     -0.0073     -0.0117                                   
                                   13      C            -0.0186     -0.0111      0.0122                                   
                                   14      C            -0.0267     -0.0304      0.0872                                   
                                   15      C             0.0172      0.0147     -0.0555                                   
                                   16      C            -0.0040     -0.0156      0.0369                                   
                                   17      C            -0.0219     -0.0134      0.0203                                   
                                   18      C             0.0084     -0.0005      0.0104                                   
                                   19      C            -0.0405     -0.0918     -0.0126                                   
                                   20      C            -0.0024      0.0238     -0.0090                                   
                                   21      C             0.0056     -0.0429      0.0211                                   
                                   22      C            -0.0419      0.0224     -0.0138                                   
                                   23      C            -0.0084      0.0742     -0.0191                                   
                                   24      H            -0.1207      0.0565      0.0110                                   
                                   25      H            -0.1109      0.0493     -0.0819                                   
                                   26      H             0.0101     -0.0132      0.0045                                   
                                   27      H            -0.0329      0.0207      0.0186                                   
                                   28      H             0.0473      0.0236      0.0487                                   
                                   29      H            -0.0623      0.0232     -0.0506                                   
                                   30      H             0.1961     -0.0457      0.0334                                   
                                   31      H            -0.2010      0.0805     -0.0720                                   
                                   32      H             0.1003     -0.0775     -0.0794                                   
                                   33      H             0.0631     -0.0183     -0.0857                                   
                                   34      H             0.0917      0.0412     -0.0620                                   
                                   35      H            -0.1506     -0.1442      0.1374                                   
                                   36      H             0.1884      0.0596      0.0644                                   
                                   37      H             0.2426      0.3054     -0.0269                                   
                                   38      H             0.0035     -0.0277      0.0552                                   
                                   39      H            -0.0020      0.0301     -0.0014                                   
                                   40      H             0.0149      0.0101      0.0039                                   
                                   41      H             0.0125      0.0412      0.1256                                   
                                   42      H            -0.1041      0.0501      0.0175                                   
                                   43      H             0.1766     -0.1192      0.0027                                   
                                   44      H             0.0157     -0.0016     -0.0052                                   
                                   45      H            -0.0269     -0.0367     -0.0033                                   
                                   46      H            -0.3624      0.2057     -0.0976                                   
                                   47      H            -0.2427      0.0282     -0.0581                                   
                                   48      H             0.1079     -0.0741     -0.0961                                   
                                   49      H             0.0747      0.3376     -0.0713                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      72                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1152.23  cm**-1                                     
                                   Reduced mass:                       1.9652  amu                                        
                                   Force constant:                     1.5372  mdyne/A                                    
                                   IR intensity:                       2.3893  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0051     -0.0000      0.0152                                   
                                   2       O            -0.0094     -0.0011      0.0060                                   
                                   3       O            -0.0209      0.0038     -0.0050                                   
                                   4       C            -0.1067      0.0774     -0.0278                                   
                                   5       C            -0.0253      0.0026      0.0092                                   
                                   6       C             0.0439     -0.0415      0.0042                                   
                                   7       C            -0.0206      0.0292      0.0206                                   
                                   8       C             0.0141     -0.0196      0.0389                                   
                                   9       C             0.0721     -0.0337     -0.0798                                   
                                   10      C            -0.0280      0.0689     -0.0475                                   
                                   11      C             0.0847     -0.0333      0.0382                                   
                                   12      C             0.0304     -0.0287      0.0097                                   
                                   13      C            -0.0082      0.0239     -0.0011                                   
                                   14      C             0.0031      0.1016     -0.0203                                   
                                   15      C            -0.0736     -0.0702     -0.0147                                   
                                   16      C            -0.0256      0.0117      0.0340                                   
                                   17      C             0.0264     -0.0221      0.0084                                   
                                   18      C            -0.0088     -0.0065      0.0111                                   
                                   19      C             0.0196      0.0309     -0.0021                                   
                                   20      C            -0.0035     -0.0116      0.0067                                   
                                   21      C             0.0017      0.0065     -0.0064                                   
                                   22      C             0.0098     -0.0005      0.0028                                   
                                   23      C             0.0000     -0.0168      0.0040                                   
                                   24      H            -0.1878      0.0619     -0.0144                                   
                                   25      H            -0.1657     -0.0945     -0.1599                                   
                                   26      H             0.0262     -0.0189     -0.0116                                   
                                   27      H             0.0623     -0.0300     -0.1257                                   
                                   28      H             0.1193      0.0452      0.0858                                   
                                   29      H             0.2115     -0.0244     -0.0775                                   
                                   30      H             0.2517     -0.0959      0.0581                                   
                                   31      H             0.0995     -0.0583     -0.0033                                   
                                   32      H             0.1628     -0.1282     -0.1122                                   
                                   33      H            -0.0529      0.0280      0.0165                                   
                                   34      H             0.2372      0.1497     -0.1681                                   
                                   35      H            -0.1414     -0.1139      0.1523                                   
                                   36      H            -0.0029      0.2313     -0.0242                                   
                                   37      H            -0.2747     -0.1538     -0.0317                                   
                                   38      H            -0.0103     -0.0364      0.0232                                   
                                   39      H             0.0108     -0.0239     -0.0610                                   
                                   40      H             0.0565      0.0329      0.1180                                   
                                   41      H             0.0657     -0.0075      0.0528                                   
                                   42      H             0.0438     -0.0362      0.0088                                   
                                   43      H             0.0496     -0.0321      0.0136                                   
                                   44      H            -0.2259     -0.1466      0.0599                                   
                                   45      H            -0.0963     -0.1885     -0.0002                                   
                                   46      H             0.2241     -0.1451      0.0242                                   
                                   47      H             0.0876     -0.0026      0.0173                                   
                                   48      H            -0.0351      0.0185      0.0257                                   
                                   49      H            -0.0213     -0.0833      0.0172                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      73                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1155.30  cm**-1                                     
                                   Reduced mass:                       1.5925  amu                                        
                                   Force constant:                     1.2523  mdyne/A                                    
                                   IR intensity:                       3.3333  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0094     -0.0018      0.0013                                   
                                   2       O             0.0050      0.0091     -0.0073                                   
                                   3       O            -0.0005     -0.0023      0.0014                                   
                                   4       C             0.0999     -0.0147      0.0092                                   
                                   5       C            -0.0231      0.0606      0.0150                                   
                                   6       C             0.0109      0.0274      0.0092                                   
                                   7       C            -0.0143     -0.0145     -0.0065                                   
                                   8       C            -0.0103     -0.0072     -0.0049                                   
                                   9       C            -0.0660     -0.0812     -0.0236                                   
                                   10      C             0.0455      0.0194     -0.0001                                   
                                   11      C            -0.0053     -0.0015      0.0277                                   
                                   12      C             0.0535     -0.0245     -0.0522                                   
                                   13      C            -0.0336     -0.0312      0.0394                                   
                                   14      C            -0.0119     -0.0039      0.0165                                   
                                   15      C            -0.0115      0.0254     -0.0241                                   
                                   16      C             0.0285      0.0357      0.0109                                   
                                   17      C            -0.0515     -0.0106      0.0130                                   
                                   18      C            -0.0218      0.0082      0.0045                                   
                                   19      C             0.0230      0.0461     -0.0146                                   
                                   20      C             0.0060      0.0051     -0.0012                                   
                                   21      C            -0.0101      0.0220     -0.0139                                   
                                   22      C             0.0117     -0.0124      0.0061                                   
                                   23      C            -0.0093     -0.0159      0.0021                                   
                                   24      H            -0.0267      0.0269      0.0094                                   
                                   25      H            -0.1190     -0.0687     -0.0946                                   
                                   26      H             0.1410     -0.0239     -0.1423                                   
                                   27      H            -0.1610      0.0851      0.2035                                   
                                   28      H            -0.1879      0.0381      0.0073                                   
                                   29      H            -0.1754      0.0354     -0.0184                                   
                                   30      H            -0.0143      0.0894      0.0187                                   
                                   31      H            -0.1872      0.0782     -0.0560                                   
                                   32      H             0.1106     -0.0544     -0.0981                                   
                                   33      H             0.0089     -0.0004     -0.0258                                   
                                   34      H            -0.0292     -0.0307      0.0356                                   
                                   35      H            -0.0284     -0.0280      0.0321                                   
                                   36      H             0.0503     -0.0645      0.0120                                   
                                   37      H            -0.0205      0.0316     -0.0225                                   
                                   38      H             0.0954      0.0880      0.0093                                   
                                   39      H            -0.0080     -0.0372      0.1769                                   
                                   40      H            -0.0541     -0.0433      0.0657                                   
                                   41      H            -0.0571     -0.0528     -0.1569                                   
                                   42      H            -0.1954      0.1244      0.0024                                   
                                   43      H             0.2418     -0.1614      0.0183                                   
                                   44      H            -0.1416     -0.0640      0.0380                                   
                                   45      H            -0.0391     -0.0607     -0.0038                                   
                                   46      H             0.4758     -0.2596      0.0563                                   
                                   47      H             0.0880     -0.0146      0.0212                                   
                                   48      H             0.1833     -0.1229     -0.1633                                   
                                   49      H             0.0038      0.0274     -0.0055                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      74                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1167.54  cm**-1                                     
                                   Reduced mass:                       1.8818  amu                                        
                                   Force constant:                     1.5113  mdyne/A                                    
                                   IR intensity:                      12.7482  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0033     -0.0259      0.0019                                   
                                   2       O            -0.0149     -0.0097      0.0085                                   
                                   3       O             0.0038     -0.0049      0.0024                                   
                                   4       C             0.0045      0.0815      0.0777                                   
                                   5       C             0.0365      0.0145     -0.0139                                   
                                   6       C             0.0197      0.0598      0.0172                                   
                                   7       C            -0.0050     -0.0309     -0.0221                                   
                                   8       C            -0.0517     -0.0336     -0.0020                                   
                                   9       C            -0.1369     -0.0128     -0.0076                                   
                                   10      C            -0.0553      0.0583     -0.0839                                   
                                   11      C             0.0237     -0.0469     -0.0357                                   
                                   12      C             0.0145     -0.0146      0.0078                                   
                                   13      C            -0.0237     -0.0189      0.0181                                   
                                   14      C            -0.0069     -0.0369      0.0317                                   
                                   15      C            -0.0234      0.0278     -0.0178                                   
                                   16      C             0.0588      0.0056      0.0048                                   
                                   17      C             0.0829     -0.0132      0.0094                                   
                                   18      C             0.0003      0.0038      0.0022                                   
                                   19      C             0.0093     -0.0036     -0.0169                                   
                                   20      C             0.0154      0.0120     -0.0055                                   
                                   21      C            -0.0066      0.0071     -0.0013                                   
                                   22      C             0.0036     -0.0001      0.0012                                   
                                   23      C            -0.0056      0.0064     -0.0022                                   
                                   24      H             0.0665     -0.3154     -0.0160                                   
                                   25      H             0.1181      0.0414      0.0920                                   
                                   26      H             0.0735      0.0435     -0.1129                                   
                                   27      H             0.0691     -0.0369      0.0570                                   
                                   28      H            -0.0015      0.0594      0.0603                                   
                                   29      H             0.2419     -0.0570     -0.1161                                   
                                   30      H             0.2386     -0.1717      0.0012                                   
                                   31      H            -0.0075     -0.0148     -0.0047                                   
                                   32      H             0.1052     -0.0751     -0.0689                                   
                                   33      H            -0.2239      0.1133      0.1953                                   
                                   34      H             0.0523      0.0356     -0.0320                                   
                                   35      H             0.0008      0.0079      0.0283                                   
                                   36      H             0.1801     -0.0216      0.0220                                   
                                   37      H             0.2538      0.1454      0.0083                                   
                                   38      H            -0.1215     -0.0392     -0.0427                                   
                                   39      H            -0.0286      0.0406      0.2623                                   
                                   40      H            -0.1026     -0.0601     -0.1124                                   
                                   41      H            -0.1214     -0.0086     -0.1089                                   
                                   42      H             0.1820     -0.1462      0.0297                                   
                                   43      H            -0.1736      0.1156     -0.0264                                   
                                   44      H             0.0748      0.0503     -0.0249                                   
                                   45      H             0.0484      0.0635      0.0123                                   
                                   46      H             0.0656     -0.0217     -0.0115                                   
                                   47      H            -0.0069      0.0010      0.0008                                   
                                   48      H            -0.1978      0.1263      0.1695                                   
                                   49      H            -0.0098     -0.0115     -0.0013                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      75                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1174.26  cm**-1                                     
                                   Reduced mass:                       1.4625  amu                                        
                                   Force constant:                     1.1882  mdyne/A                                    
                                   IR intensity:                      17.5327  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0030      0.0216      0.0115                                   
                                   2       O             0.0029      0.0049     -0.0025                                   
                                   3       O            -0.0155      0.0191     -0.0080                                   
                                   4       C            -0.0367     -0.0563     -0.0348                                   
                                   5       C             0.0566     -0.0346      0.0032                                   
                                   6       C            -0.0124     -0.0382     -0.0165                                   
                                   7       C             0.0174      0.0179      0.0044                                   
                                   8       C             0.0283      0.0161      0.0098                                   
                                   9       C            -0.0617      0.0279     -0.0537                                   
                                   10      C             0.0441     -0.0084      0.0203                                   
                                   11      C            -0.0310      0.0288     -0.0146                                   
                                   12      C            -0.0426      0.0231      0.0307                                   
                                   13      C             0.0553      0.0256     -0.0078                                   
                                   14      C            -0.0248      0.0067      0.0275                                   
                                   15      C             0.0349     -0.0085     -0.0005                                   
                                   16      C             0.0262     -0.0111      0.0220                                   
                                   17      C            -0.0321     -0.0006     -0.0029                                   
                                   18      C             0.0085     -0.0045      0.0067                                   
                                   19      C            -0.0037      0.0143     -0.0127                                   
                                   20      C             0.0108     -0.0051      0.0022                                   
                                   21      C             0.0061      0.0033      0.0015                                   
                                   22      C             0.0050     -0.0135      0.0045                                   
                                   23      C             0.0096     -0.0239      0.0085                                   
                                   24      H             0.0055     -0.1043     -0.0054                                   
                                   25      H            -0.1634     -0.3513     -0.1520                                   
                                   26      H            -0.1151     -0.0038      0.1281                                   
                                   27      H            -0.0519      0.0323     -0.0303                                   
                                   28      H            -0.1451      0.0088     -0.0090                                   
                                   29      H             0.0697     -0.0108      0.0573                                   
                                   30      H            -0.0474     -0.0049     -0.0151                                   
                                   31      H             0.0900     -0.0285      0.0294                                   
                                   32      H             0.1063     -0.0096     -0.0785                                   
                                   33      H            -0.3700      0.1966      0.3217                                   
                                   34      H             0.1378      0.2397     -0.0994                                   
                                   35      H             0.1788      0.1495     -0.1977                                   
                                   36      H             0.0344     -0.0562      0.0222                                   
                                   37      H             0.1286      0.1220      0.0099                                   
                                   38      H            -0.1461     -0.1375      0.0284                                   
                                   39      H            -0.0154      0.0594      0.1026                                   
                                   40      H            -0.0370     -0.0172     -0.0783                                   
                                   41      H            -0.0517      0.0273      0.0324                                   
                                   42      H            -0.0945      0.0723     -0.0115                                   
                                   43      H             0.0860     -0.0576      0.0218                                   
                                   44      H            -0.0395     -0.0392      0.0034                                   
                                   45      H            -0.1221     -0.2358     -0.0045                                   
                                   46      H            -0.0228      0.0067     -0.0171                                   
                                   47      H             0.0578     -0.0158      0.0175                                   
                                   48      H             0.0769     -0.0502     -0.0742                                   
                                   49      H             0.0086     -0.0257      0.0077                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      76                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1178.95  cm**-1                                     
                                   Reduced mass:                       2.4196  amu                                        
                                   Force constant:                     1.9814  mdyne/A                                    
                                   IR intensity:                       1.8826  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0100     -0.0020      0.0002                                   
                                   2       O             0.0049      0.0087     -0.0042                                   
                                   3       O             0.0745     -0.0704      0.0329                                   
                                   4       C            -0.0441      0.0247      0.0387                                   
                                   5       C            -0.0149      0.0188     -0.0254                                   
                                   6       C             0.0333      0.0125      0.0028                                   
                                   7       C            -0.0088     -0.0051     -0.0262                                   
                                   8       C             0.0001     -0.0009     -0.0044                                   
                                   9       C            -0.0963      0.0873      0.0832                                   
                                   10      C             0.0679      0.0025      0.0275                                   
                                   11      C             0.0117     -0.0205     -0.0188                                   
                                   12      C             0.0340     -0.0204      0.0097                                   
                                   13      C            -0.0272      0.0033      0.0012                                   
                                   14      C             0.0970      0.0674     -0.0888                                   
                                   15      C            -0.0077     -0.0321      0.0770                                   
                                   16      C             0.0308     -0.0219     -0.0273                                   
                                   17      C            -0.0493     -0.0039     -0.0028                                   
                                   18      C            -0.0098     -0.0385      0.0006                                   
                                   19      C            -0.0029     -0.0900      0.0151                                   
                                   20      C             0.0165      0.0595     -0.0262                                   
                                   21      C            -0.0409     -0.0660      0.0090                                   
                                   22      C            -0.0181      0.0497     -0.0152                                   
                                   23      C            -0.0333      0.1136     -0.0359                                   
                                   24      H             0.1454     -0.1120     -0.0022                                   
                                   25      H            -0.0399      0.0659     -0.0504                                   
                                   26      H            -0.0957      0.0968      0.0241                                   
                                   27      H             0.1711     -0.0893     -0.1198                                   
                                   28      H            -0.0204      0.0113      0.0038                                   
                                   29      H            -0.0046     -0.0016      0.0065                                   
                                   30      H            -0.1578      0.0060     -0.0346                                   
                                   31      H             0.2008     -0.1057      0.0558                                   
                                   32      H             0.0569     -0.0706     -0.0240                                   
                                   33      H            -0.1050      0.0693      0.0494                                   
                                   34      H             0.0151     -0.0479     -0.0094                                   
                                   35      H            -0.0106      0.0199      0.0649                                   
                                   36      H             0.2527     -0.1020     -0.0719                                   
                                   37      H            -0.2591     -0.3651      0.0445                                   
                                   38      H            -0.0715     -0.0363     -0.0595                                   
                                   39      H            -0.0192      0.0696      0.0700                                   
                                   40      H            -0.0517     -0.0067     -0.2096                                   
                                   41      H            -0.0723      0.0187     -0.0284                                   
                                   42      H            -0.1337      0.1104     -0.0199                                   
                                   43      H             0.1430     -0.0958      0.0315                                   
                                   44      H            -0.2026     -0.1317      0.0888                                   
                                   45      H            -0.0385     -0.0471     -0.0083                                   
                                   46      H             0.1245      0.0171      0.0382                                   
                                   47      H            -0.2898      0.0619     -0.0751                                   
                                   48      H             0.1334     -0.0867     -0.1166                                   
                                   49      H            -0.0336      0.0963     -0.0345                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      77                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1188.71  cm**-1                                     
                                   Reduced mass:                       1.9406  amu                                        
                                   Force constant:                     1.6156  mdyne/A                                    
                                   IR intensity:                      24.6393  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0208     -0.0115      0.0087                                   
                                   2       O            -0.0034      0.0159      0.0007                                   
                                   3       O            -0.0320      0.0162     -0.0113                                   
                                   4       C            -0.0249      0.0728      0.1140                                   
                                   5       C            -0.0578      0.0375     -0.0379                                   
                                   6       C             0.0333      0.0126      0.0139                                   
                                   7       C            -0.0222     -0.0046     -0.0409                                   
                                   8       C            -0.0168     -0.0238     -0.0150                                   
                                   9       C             0.0825     -0.0162      0.0710                                   
                                   10      C             0.1046      0.0634      0.0011                                   
                                   11      C             0.0114     -0.0443     -0.0696                                   
                                   12      C             0.0225     -0.0217      0.0143                                   
                                   13      C            -0.0293     -0.0089     -0.0217                                   
                                   14      C            -0.0003     -0.0652      0.0022                                   
                                   15      C            -0.0093      0.0286      0.0262                                   
                                   16      C            -0.0199     -0.0028     -0.0291                                   
                                   17      C            -0.0489     -0.0277     -0.0011                                   
                                   18      C             0.0099      0.0301     -0.0170                                   
                                   19      C            -0.0019      0.0145      0.0178                                   
                                   20      C            -0.0074     -0.0293      0.0114                                   
                                   21      C             0.0307      0.0175      0.0025                                   
                                   22      C             0.0010     -0.0040     -0.0003                                   
                                   23      C             0.0083     -0.0251      0.0075                                   
                                   24      H            -0.1786     -0.2155     -0.0501                                   
                                   25      H            -0.0032     -0.1068     -0.0248                                   
                                   26      H            -0.0026      0.0921     -0.0858                                   
                                   27      H             0.1220     -0.0605     -0.0746                                   
                                   28      H            -0.1446      0.0696      0.0352                                   
                                   29      H             0.0380     -0.0140     -0.0623                                   
                                   30      H             0.0484     -0.1522     -0.0484                                   
                                   31      H             0.1674     -0.0897      0.0516                                   
                                   32      H            -0.0302     -0.0439      0.0374                                   
                                   33      H            -0.0270      0.0242     -0.0392                                   
                                   34      H            -0.0080     -0.0928     -0.0133                                   
                                   35      H             0.0726      0.0945     -0.0055                                   
                                   36      H            -0.2904      0.2488      0.0066                                   
                                   37      H             0.2701      0.0711      0.0471                                   
                                   38      H            -0.1426     -0.0402     -0.0721                                   
                                   39      H             0.0089     -0.0259     -0.0938                                   
                                   40      H             0.0364      0.0121      0.0387                                   
                                   41      H             0.0448     -0.0144     -0.0068                                   
                                   42      H            -0.1871      0.1676     -0.0321                                   
                                   43      H             0.2436     -0.1655      0.0603                                   
                                   44      H             0.1503      0.1074     -0.0614                                   
                                   45      H            -0.0893     -0.1439     -0.0065                                   
                                   46      H            -0.2430      0.1079     -0.0167                                   
                                   47      H             0.0740     -0.0059      0.0198                                   
                                   48      H             0.1907     -0.1276     -0.1742                                   
                                   49      H            -0.0062     -0.0648      0.0171                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      78                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1196.78  cm**-1                                     
                                   Reduced mass:                       1.4679  amu                                        
                                   Force constant:                     1.2387  mdyne/A                                    
                                   IR intensity:                      10.1378  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0047      0.0041     -0.0081                                   
                                   2       O             0.0068     -0.0028     -0.0034                                   
                                   3       O             0.0018      0.0146     -0.0027                                   
                                   4       C            -0.0152     -0.0319      0.0263                                   
                                   5       C            -0.0021      0.0489      0.0146                                   
                                   6       C             0.0031      0.0223     -0.0050                                   
                                   7       C             0.0075      0.0090     -0.0200                                   
                                   8       C            -0.0012      0.0124     -0.0153                                   
                                   9       C             0.0178      0.0891     -0.0518                                   
                                   10      C            -0.0015     -0.0488      0.0378                                   
                                   11      C            -0.0339      0.0062     -0.0552                                   
                                   12      C             0.0407     -0.0306     -0.0325                                   
                                   13      C            -0.0247     -0.0036      0.0280                                   
                                   14      C            -0.0265     -0.0044      0.0345                                   
                                   15      C             0.0360     -0.0034      0.0172                                   
                                   16      C            -0.0019     -0.0301      0.0125                                   
                                   17      C            -0.0113      0.0175     -0.0066                                   
                                   18      C            -0.0091     -0.0365      0.0182                                   
                                   19      C            -0.0042      0.0438     -0.0135                                   
                                   20      C            -0.0117     -0.0050      0.0019                                   
                                   21      C            -0.0116      0.0126     -0.0102                                   
                                   22      C             0.0042     -0.0177      0.0055                                   
                                   23      C             0.0032     -0.0358      0.0098                                   
                                   24      H            -0.0803      0.0107      0.0010                                   
                                   25      H            -0.0012      0.2452      0.0065                                   
                                   26      H            -0.0862      0.0383      0.0567                                   
                                   27      H             0.1468     -0.0684     -0.1389                                   
                                   28      H             0.1212     -0.0560     -0.0462                                   
                                   29      H            -0.0463      0.0064      0.0290                                   
                                   30      H            -0.0899     -0.0608     -0.0527                                   
                                   31      H             0.2395     -0.1108      0.0649                                   
                                   32      H             0.0463     -0.0196     -0.0329                                   
                                   33      H             0.1041     -0.0655     -0.0734                                   
                                   34      H            -0.0119     -0.0408      0.0267                                   
                                   35      H            -0.1672     -0.1501      0.1499                                   
                                   36      H            -0.0407     -0.0302      0.0305                                   
                                   37      H             0.3159      0.1904      0.0419                                   
                                   38      H            -0.3446     -0.2539     -0.0105                                   
                                   39      H            -0.0042      0.0558     -0.0385                                   
                                   40      H             0.0142      0.0159     -0.0699                                   
                                   41      H             0.0064      0.0550      0.1341                                   
                                   42      H             0.0211     -0.0169     -0.0022                                   
                                   43      H            -0.0609      0.0428     -0.0088                                   
                                   44      H            -0.2604     -0.1840      0.0977                                   
                                   45      H             0.0355      0.0813     -0.0057                                   
                                   46      H             0.2900     -0.1666      0.0657                                   
                                   47      H             0.1294     -0.0216      0.0357                                   
                                   48      H            -0.0165      0.0142      0.0210                                   
                                   49      H             0.0353      0.0706     -0.0107                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      79                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1198.38  cm**-1                                     
                                   Reduced mass:                       1.5693  amu                                        
                                   Force constant:                     1.3278  mdyne/A                                    
                                   IR intensity:                       9.0700  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0088     -0.0232     -0.0141                                   
                                   2       O             0.0038      0.0089      0.0003                                   
                                   3       O            -0.0146      0.0134     -0.0061                                   
                                   4       C            -0.1002      0.0679     -0.0518                                   
                                   5       C             0.0178     -0.0003      0.0378                                   
                                   6       C             0.0037      0.0437     -0.0342                                   
                                   7       C             0.0191     -0.0339      0.0152                                   
                                   8       C             0.0209     -0.0157      0.0110                                   
                                   9       C             0.0030      0.0104     -0.0438                                   
                                   10      C             0.0532      0.0008      0.0561                                   
                                   11      C             0.0354     -0.0194      0.0396                                   
                                   12      C            -0.0135     -0.0053     -0.0507                                   
                                   13      C            -0.0148     -0.0176      0.0353                                   
                                   14      C            -0.0266      0.0012      0.0182                                   
                                   15      C            -0.0263     -0.0143     -0.0552                                   
                                   16      C            -0.0074     -0.0014      0.0193                                   
                                   17      C            -0.0416      0.0014     -0.0092                                   
                                   18      C             0.0019     -0.0031      0.0047                                   
                                   19      C             0.0053      0.0139     -0.0160                                   
                                   20      C             0.0027     -0.0090      0.0040                                   
                                   21      C             0.0101      0.0109     -0.0003                                   
                                   22      C            -0.0014     -0.0073      0.0025                                   
                                   23      C             0.0066     -0.0217      0.0074                                   
                                   24      H             0.1235     -0.2396      0.0368                                   
                                   25      H             0.2510      0.0644      0.1638                                   
                                   26      H            -0.2053      0.1084      0.1756                                   
                                   27      H             0.1329     -0.0894     -0.0720                                   
                                   28      H             0.1784     -0.0099      0.0281                                   
                                   29      H            -0.1049      0.0223     -0.0139                                   
                                   30      H             0.2803     -0.0844      0.0655                                   
                                   31      H            -0.0553     -0.0024     -0.0697                                   
                                   32      H            -0.0462      0.1057      0.0075                                   
                                   33      H            -0.0856      0.0116      0.1211                                   
                                   34      H            -0.2902     -0.1989      0.2277                                   
                                   35      H             0.1878      0.1864     -0.1623                                   
                                   36      H             0.1771     -0.1217      0.0090                                   
                                   37      H            -0.0824      0.0582     -0.0542                                   
                                   38      H             0.1554      0.0834      0.0333                                   
                                   39      H             0.0098      0.0014     -0.0506                                   
                                   40      H             0.0128      0.0147      0.0097                                   
                                   41      H             0.0159      0.0099      0.0453                                   
                                   42      H            -0.0604      0.0747     -0.0284                                   
                                   43      H             0.0920     -0.0616      0.0284                                   
                                   44      H            -0.0606     -0.0415      0.0229                                   
                                   45      H             0.0989      0.2196     -0.0022                                   
                                   46      H             0.0259     -0.0269     -0.0035                                   
                                   47      H             0.0551     -0.0104      0.0120                                   
                                   48      H             0.1143     -0.0732     -0.0931                                   
                                   49      H             0.0117     -0.0027      0.0019                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      80                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1216.86  cm**-1                                     
                                   Reduced mass:                       1.9766  amu                                        
                                   Force constant:                     1.7245  mdyne/A                                    
                                   IR intensity:                      17.2815  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0159      0.0426     -0.0073                                   
                                   2       O             0.0149     -0.0034     -0.0052                                   
                                   3       O            -0.0041     -0.0123      0.0022                                   
                                   4       C            -0.0180      0.0252      0.0850                                   
                                   5       C             0.0320      0.0452     -0.0051                                   
                                   6       C             0.0199     -0.0264     -0.0290                                   
                                   7       C            -0.0293      0.0241     -0.0314                                   
                                   8       C            -0.0278      0.0409     -0.0243                                   
                                   9       C            -0.0336     -0.1062     -0.0379                                   
                                   10      C             0.0166     -0.1649      0.1021                                   
                                   11      C             0.0358     -0.0143     -0.0254                                   
                                   12      C            -0.0093     -0.0255     -0.0041                                   
                                   13      C             0.0132      0.0271      0.0187                                   
                                   14      C            -0.0025      0.0235      0.0040                                   
                                   15      C            -0.0354     -0.0074      0.0131                                   
                                   16      C             0.0128      0.0291      0.0156                                   
                                   17      C            -0.0402      0.0457     -0.0262                                   
                                   18      C             0.0033      0.0300     -0.0063                                   
                                   19      C             0.0096     -0.0189      0.0020                                   
                                   20      C             0.0072      0.0015      0.0004                                   
                                   21      C             0.0059     -0.0030      0.0045                                   
                                   22      C             0.0067      0.0063     -0.0006                                   
                                   23      C            -0.0049      0.0247     -0.0071                                   
                                   24      H            -0.0027     -0.0560     -0.0102                                   
                                   25      H            -0.1731      0.0344     -0.1692                                   
                                   26      H             0.1017     -0.0240     -0.1355                                   
                                   27      H             0.0598     -0.0213     -0.0748                                   
                                   28      H             0.5263     -0.1791     -0.1102                                   
                                   29      H            -0.4293      0.0890      0.0868                                   
                                   30      H             0.1223     -0.1497     -0.0016                                   
                                   31      H            -0.0787      0.0617      0.0199                                   
                                   32      H             0.0761     -0.0170     -0.0560                                   
                                   33      H            -0.0600     -0.0121      0.1235                                   
                                   34      H             0.0787      0.0957     -0.0364                                   
                                   35      H            -0.0406     -0.0340      0.0189                                   
                                   36      H             0.0343      0.2297     -0.0026                                   
                                   37      H             0.0570     -0.0123      0.0193                                   
                                   38      H             0.0184      0.0381     -0.0215                                   
                                   39      H            -0.0021     -0.0370      0.1061                                   
                                   40      H            -0.0266     -0.0286      0.0874                                   
                                   41      H            -0.0209     -0.0357     -0.0887                                   
                                   42      H             0.0336     -0.0134     -0.0225                                   
                                   43      H            -0.1258      0.0871     -0.0219                                   
                                   44      H             0.1485      0.1082     -0.0672                                   
                                   45      H            -0.0298     -0.0545     -0.0113                                   
                                   46      H            -0.1273      0.0630     -0.0544                                   
                                   47      H            -0.0717      0.0097     -0.0173                                   
                                   48      H            -0.0085      0.0133      0.0177                                   
                                   49      H            -0.0322     -0.0668      0.0107                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      81                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1221.93  cm**-1                                     
                                   Reduced mass:                       2.1326  amu                                        
                                   Force constant:                     1.8761  mdyne/A                                    
                                   IR intensity:                       5.2968  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0055      0.0226      0.0082                                   
                                   2       O             0.0003      0.0016      0.0009                                   
                                   3       O            -0.0003      0.0124     -0.0029                                   
                                   4       C             0.0122      0.0513      0.0195                                   
                                   5       C            -0.0193     -0.0577     -0.0355                                   
                                   6       C             0.0370     -0.0924      0.0196                                   
                                   7       C            -0.0593      0.0429      0.0047                                   
                                   8       C            -0.0213      0.0063      0.0069                                   
                                   9       C             0.0114      0.1561      0.0987                                   
                                   10      C             0.0036     -0.0288     -0.0007                                   
                                   11      C             0.0430     -0.0177      0.0158                                   
                                   12      C            -0.0202      0.0147      0.0819                                   
                                   13      C             0.0191      0.0501     -0.0680                                   
                                   14      C            -0.0119     -0.0944      0.0022                                   
                                   15      C            -0.0327      0.0280     -0.0655                                   
                                   16      C            -0.0057     -0.0388     -0.0441                                   
                                   17      C            -0.0080      0.0009     -0.0059                                   
                                   18      C            -0.0068     -0.0430      0.0063                                   
                                   19      C             0.0075      0.0321     -0.0124                                   
                                   20      C            -0.0104     -0.0068      0.0002                                   
                                   21      C            -0.0063      0.0298     -0.0123                                   
                                   22      C            -0.0042     -0.0082      0.0023                                   
                                   23      C             0.0004     -0.0337      0.0087                                   
                                   24      H             0.1284     -0.1782     -0.0119                                   
                                   25      H            -0.1600     -0.0414     -0.1339                                   
                                   26      H             0.1656     -0.0640     -0.1679                                   
                                   27      H            -0.0190      0.0224     -0.0142                                   
                                   28      H             0.2193     -0.0413     -0.0020                                   
                                   29      H            -0.1684      0.0384      0.0081                                   
                                   30      H             0.2415     -0.0893      0.0410                                   
                                   31      H            -0.2580      0.1301     -0.0611                                   
                                   32      H            -0.1456     -0.0014      0.1540                                   
                                   33      H             0.0585     -0.0035     -0.0951                                   
                                   34      H             0.1140      0.0091     -0.1098                                   
                                   35      H            -0.0034      0.0270      0.0518                                   
                                   36      H             0.1661     -0.3566      0.0047                                   
                                   37      H             0.0669      0.1244     -0.0510                                   
                                   38      H             0.1978      0.1580      0.0015                                   
                                   39      H            -0.0134      0.0488     -0.0611                                   
                                   40      H             0.0110      0.0159     -0.1391                                   
                                   41      H             0.0009      0.0445      0.0767                                   
                                   42      H            -0.0054      0.0195     -0.0136                                   
                                   43      H             0.0048     -0.0065     -0.0034                                   
                                   44      H            -0.1229     -0.0948      0.0758                                   
                                   45      H            -0.0765     -0.1509     -0.0036                                   
                                   46      H             0.2273     -0.1153      0.0934                                   
                                   47      H             0.0941     -0.0127      0.0216                                   
                                   48      H             0.0170     -0.0107     -0.0153                                   
                                   49      H             0.0286      0.0599     -0.0117                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      82                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1240.32  cm**-1                                     
                                   Reduced mass:                       2.3780  amu                                        
                                   Force constant:                     2.1554  mdyne/A                                    
                                   IR intensity:                      19.6957  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0041      0.0061     -0.0042                                   
                                   2       O             0.0042     -0.0078     -0.0051                                   
                                   3       O            -0.0345      0.0934     -0.0314                                   
                                   4       C             0.0115     -0.0342     -0.0079                                   
                                   5       C            -0.0977      0.0419     -0.0265                                   
                                   6       C            -0.0035      0.0562     -0.0035                                   
                                   7       C             0.0333     -0.0231     -0.0194                                   
                                   8       C             0.0084      0.0212     -0.0019                                   
                                   9       C             0.0078      0.0128      0.0846                                   
                                   10      C            -0.0223     -0.0448      0.0091                                   
                                   11      C            -0.0010     -0.0038      0.0242                                   
                                   12      C             0.0749     -0.0300     -0.0259                                   
                                   13      C            -0.0268     -0.0241      0.0486                                   
                                   14      C             0.0822     -0.0191     -0.0126                                   
                                   15      C            -0.0032      0.0167      0.0030                                   
                                   16      C            -0.0036     -0.0041     -0.0237                                   
                                   17      C             0.0063      0.0181      0.0025                                   
                                   18      C             0.0060      0.0408     -0.0280                                   
                                   19      C            -0.0740     -0.0362     -0.0156                                   
                                   20      C             0.0292      0.0038     -0.0012                                   
                                   21      C             0.0800     -0.0493      0.0323                                   
                                   22      C            -0.1233      0.0185     -0.0310                                   
                                   23      C             0.0706     -0.1280      0.0474                                   
                                   24      H            -0.0117     -0.0635     -0.0144                                   
                                   25      H            -0.0652      0.0237     -0.0480                                   
                                   26      H            -0.1159      0.0533      0.0952                                   
                                   27      H            -0.0188      0.0075      0.0369                                   
                                   28      H             0.0081     -0.0415     -0.0422                                   
                                   29      H            -0.0117      0.0113      0.0286                                   
                                   30      H             0.0127      0.0360      0.0214                                   
                                   31      H            -0.1540      0.0632     -0.0374                                   
                                   32      H             0.2057     -0.1600     -0.1539                                   
                                   33      H            -0.2381      0.1486      0.1550                                   
                                   34      H             0.1264      0.1340     -0.0709                                   
                                   35      H            -0.0750     -0.0748      0.0613                                   
                                   36      H             0.1565     -0.0231     -0.0139                                   
                                   37      H            -0.1581     -0.1380     -0.0126                                   
                                   38      H             0.0938      0.0871     -0.0205                                   
                                   39      H            -0.0008      0.0152     -0.0383                                   
                                   40      H             0.0109      0.0087     -0.0285                                   
                                   41      H            -0.0008     -0.0129     -0.0354                                   
                                   42      H             0.0140     -0.0422      0.0218                                   
                                   43      H            -0.0627      0.0482     -0.0289                                   
                                   44      H            -0.2334     -0.0984      0.0550                                   
                                   45      H             0.0174      0.0250      0.0007                                   
                                   46      H            -0.2483      0.1660     -0.0363                                   
                                   47      H             0.3755     -0.0035      0.0842                                   
                                   48      H            -0.0620      0.0413      0.0569                                   
                                   49      H             0.1978      0.3177     -0.0374                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      83                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1242.42  cm**-1                                     
                                   Reduced mass:                       2.0674  amu                                        
                                   Force constant:                     1.8803  mdyne/A                                    
                                   IR intensity:                      11.1332  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0030     -0.0018      0.0057                                   
                                   2       O            -0.0044      0.0073      0.0048                                   
                                   3       O             0.0356      0.0702     -0.0098                                   
                                   4       C             0.0163      0.0494      0.0262                                   
                                   5       C             0.0785     -0.0248      0.0235                                   
                                   6       C             0.0168     -0.0627      0.0116                                   
                                   7       C            -0.0483      0.0237      0.0158                                   
                                   8       C            -0.0210     -0.0205     -0.0009                                   
                                   9       C            -0.0467     -0.0583     -0.0530                                   
                                   10      C             0.0208      0.0368     -0.0148                                   
                                   11      C            -0.0049     -0.0179     -0.0266                                   
                                   12      C            -0.0663      0.0228      0.0226                                   
                                   13      C             0.0204      0.0264     -0.0494                                   
                                   14      C             0.0457      0.0821      0.0115                                   
                                   15      C             0.0023     -0.0182      0.0393                                   
                                   16      C             0.0108      0.0182      0.0175                                   
                                   17      C            -0.0046     -0.0175     -0.0025                                   
                                   18      C            -0.0046     -0.0086      0.0094                                   
                                   19      C            -0.0836     -0.0205     -0.0386                                   
                                   20      C            -0.0017      0.0348     -0.0119                                   
                                   21      C            -0.0359     -0.0374      0.0045                                   
                                   22      C            -0.0855     -0.0010     -0.0179                                   
                                   23      C             0.0549     -0.1040      0.0385                                   
                                   24      H             0.1000      0.1060      0.0264                                   
                                   25      H             0.0392     -0.0057      0.0269                                   
                                   26      H             0.1668     -0.0540     -0.1564                                   
                                   27      H             0.0123     -0.0036     -0.0141                                   
                                   28      H             0.0245      0.0349      0.0391                                   
                                   29      H            -0.0223     -0.0049     -0.0324                                   
                                   30      H            -0.0417     -0.0224     -0.0256                                   
                                   31      H             0.1455     -0.0809      0.0359                                   
                                   32      H            -0.2083      0.1507      0.1573                                   
                                   33      H             0.2651     -0.1659     -0.1733                                   
                                   34      H            -0.1362     -0.1615      0.0788                                   
                                   35      H             0.0772      0.0846     -0.0479                                   
                                   36      H             0.3399      0.0763     -0.0013                                   
                                   37      H             0.0017     -0.0940      0.0360                                   
                                   38      H            -0.2054     -0.1466     -0.0057                                   
                                   39      H             0.0015     -0.0330      0.0751                                   
                                   40      H            -0.0310     -0.0215      0.0405                                   
                                   41      H            -0.0196     -0.0127     -0.0395                                   
                                   42      H            -0.0156      0.0417     -0.0207                                   
                                   43      H             0.0538     -0.0430      0.0239                                   
                                   44      H             0.0966      0.0525     -0.0290                                   
                                   45      H            -0.0323     -0.0569     -0.0011                                   
                                   46      H             0.0239      0.0075     -0.0303                                   
                                   47      H             0.2928     -0.0182      0.0717                                   
                                   48      H             0.0572     -0.0381     -0.0529                                   
                                   49      H             0.1940      0.3635     -0.0496                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      84                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1267.06  cm**-1                                     
                                   Reduced mass:                       2.0718  amu                                        
                                   Force constant:                     1.9597  mdyne/A                                    
                                   IR intensity:                      39.2191  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0036      0.0087      0.0041                                   
                                   2       O             0.0004     -0.0005     -0.0059                                   
                                   3       O             0.0970      0.0068      0.0194                                   
                                   4       C            -0.0616     -0.0471      0.0334                                   
                                   5       C             0.0023      0.0331     -0.0180                                   
                                   6       C            -0.0518      0.0805     -0.0040                                   
                                   7       C             0.0751     -0.0364     -0.0439                                   
                                   8       C            -0.0112      0.0224     -0.0014                                   
                                   9       C             0.0552      0.0137      0.0169                                   
                                   10      C             0.0400     -0.0299     -0.0030                                   
                                   11      C             0.0026      0.0188      0.0053                                   
                                   12      C             0.0034     -0.0003      0.0181                                   
                                   13      C            -0.0041     -0.0369      0.0031                                   
                                   14      C             0.0185     -0.0059     -0.0004                                   
                                   15      C            -0.0138     -0.0155     -0.0021                                   
                                   16      C            -0.0137     -0.0046     -0.0025                                   
                                   17      C             0.0049      0.0023      0.0049                                   
                                   18      C             0.0008     -0.0723      0.0348                                   
                                   19      C            -0.0357      0.0304     -0.0227                                   
                                   20      C            -0.0570      0.0159     -0.0048                                   
                                   21      C            -0.1694      0.0347     -0.0462                                   
                                   22      C             0.0064     -0.0162      0.0060                                   
                                   23      C            -0.0028     -0.0386      0.0090                                   
                                   24      H            -0.0807     -0.0434     -0.0233                                   
                                   25      H             0.0208     -0.1208      0.0371                                   
                                   26      H            -0.1853      0.0680      0.1615                                   
                                   27      H            -0.0664      0.0319      0.0479                                   
                                   28      H            -0.0052     -0.0265     -0.0288                                   
                                   29      H             0.1276     -0.0244      0.0376                                   
                                   30      H             0.1452     -0.0836      0.0292                                   
                                   31      H            -0.0941      0.0720      0.0166                                   
                                   32      H             0.0289     -0.0386     -0.0107                                   
                                   33      H             0.0158      0.0000     -0.0266                                   
                                   34      H             0.1501      0.1549     -0.1218                                   
                                   35      H            -0.0729     -0.1018      0.0284                                   
                                   36      H             0.1654      0.0984     -0.0080                                   
                                   37      H            -0.0520     -0.0237     -0.0060                                   
                                   38      H             0.1403      0.0893      0.0053                                   
                                   39      H             0.0079      0.0108     -0.0809                                   
                                   40      H             0.0321      0.0262     -0.0073                                   
                                   41      H             0.0313     -0.0094      0.0082                                   
                                   42      H            -0.0938      0.0493      0.0151                                   
                                   43      H            -0.0520      0.0305     -0.0157                                   
                                   44      H             0.5796      0.2650     -0.1671                                   
                                   45      H            -0.0487     -0.1025      0.0000                                   
                                   46      H             0.2130     -0.1361      0.0579                                   
                                   47      H             0.0598     -0.0202      0.0165                                   
                                   48      H            -0.0077      0.0057      0.0022                                   
                                   49      H             0.0773      0.2132     -0.0370                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      85                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1271.31  cm**-1                                     
                                   Reduced mass:                       1.7411  amu                                        
                                   Force constant:                     1.6580  mdyne/A                                    
                                   IR intensity:                      22.2372  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0018     -0.0444     -0.0271                                   
                                   2       O             0.0031      0.0084      0.0177                                   
                                   3       O             0.0131      0.0041      0.0017                                   
                                   4       C            -0.0152      0.0401      0.0151                                   
                                   5       C             0.0062     -0.0070     -0.0146                                   
                                   6       C            -0.0890     -0.0211     -0.1086                                   
                                   7       C            -0.0012      0.0130      0.0513                                   
                                   8       C             0.0750     -0.0422     -0.0315                                   
                                   9       C            -0.0091      0.0206      0.0146                                   
                                   10      C            -0.0241      0.0611      0.1135                                   
                                   11      C             0.0091     -0.0154     -0.0078                                   
                                   12      C            -0.0162     -0.0080      0.0301                                   
                                   13      C             0.0513      0.0301      0.0051                                   
                                   14      C             0.0207     -0.0191     -0.0036                                   
                                   15      C            -0.0077      0.0068      0.0037                                   
                                   16      C             0.0045     -0.0055     -0.0098                                   
                                   17      C            -0.0513      0.0103     -0.0249                                   
                                   18      C            -0.0003     -0.0124      0.0049                                   
                                   19      C            -0.0073      0.0016      0.0007                                   
                                   20      C            -0.0055      0.0044     -0.0018                                   
                                   21      C            -0.0207      0.0031     -0.0056                                   
                                   22      C            -0.0061      0.0007     -0.0016                                   
                                   23      C             0.0017     -0.0105      0.0028                                   
                                   24      H            -0.0945     -0.0435     -0.0235                                   
                                   25      H             0.1343     -0.1726      0.0637                                   
                                   26      H             0.2540     -0.1834     -0.1313                                   
                                   27      H             0.0104     -0.0113     -0.0431                                   
                                   28      H            -0.2455      0.0628      0.0073                                   
                                   29      H            -0.1924      0.0269     -0.0414                                   
                                   30      H            -0.0123     -0.0095     -0.0084                                   
                                   31      H             0.0177     -0.0166     -0.0039                                   
                                   32      H             0.1359     -0.0676     -0.0910                                   
                                   33      H            -0.0381      0.0107      0.0275                                   
                                   34      H             0.1446      0.2001     -0.0941                                   
                                   35      H            -0.1866     -0.2110      0.0593                                   
                                   36      H            -0.0487      0.0590     -0.0022                                   
                                   37      H             0.0136     -0.0270      0.0053                                   
                                   38      H             0.0086      0.0142      0.0027                                   
                                   39      H            -0.0116      0.0059      0.0463                                   
                                   40      H            -0.0032     -0.0053     -0.0196                                   
                                   41      H            -0.0051      0.0093      0.0068                                   
                                   42      H             0.3022     -0.1402     -0.0629                                   
                                   43      H             0.1472     -0.0760      0.0892                                   
                                   44      H             0.0633      0.0255     -0.0182                                   
                                   45      H             0.2342      0.4762      0.0068                                   
                                   46      H             0.0356     -0.0165      0.0124                                   
                                   47      H             0.0248     -0.0005      0.0062                                   
                                   48      H             0.0818     -0.0506     -0.0453                                   
                                   49      H             0.0185      0.0445     -0.0073                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      86                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1278.75  cm**-1                                     
                                   Reduced mass:                       1.3551  amu                                        
                                   Force constant:                     1.3055  mdyne/A                                    
                                   IR intensity:                       9.9328  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0001      0.0280      0.0191                                   
                                   2       O            -0.0011     -0.0138     -0.0218                                   
                                   3       O            -0.0141     -0.0005     -0.0028                                   
                                   4       C            -0.0320      0.0222      0.0042                                   
                                   5       C             0.0125     -0.0008      0.0009                                   
                                   6       C            -0.0638      0.0538     -0.0363                                   
                                   7       C            -0.0060     -0.0053      0.0446                                   
                                   8       C             0.0693     -0.0023      0.0087                                   
                                   9       C            -0.0088     -0.0010      0.0016                                   
                                   10      C             0.0243     -0.0409     -0.0644                                   
                                   11      C             0.0094     -0.0012     -0.0037                                   
                                   12      C            -0.0022     -0.0042      0.0093                                   
                                   13      C             0.0188      0.0009     -0.0065                                   
                                   14      C            -0.0101      0.0052     -0.0013                                   
                                   15      C            -0.0127     -0.0096     -0.0010                                   
                                   16      C             0.0012      0.0012     -0.0029                                   
                                   17      C             0.0531     -0.0046      0.0255                                   
                                   18      C            -0.0016      0.0082     -0.0045                                   
                                   19      C             0.0069     -0.0056     -0.0006                                   
                                   20      C             0.0069     -0.0010      0.0000                                   
                                   21      C             0.0247     -0.0028      0.0061                                   
                                   22      C            -0.0024      0.0019     -0.0009                                   
                                   23      C             0.0013      0.0047     -0.0007                                   
                                   24      H             0.0243      0.0101      0.0037                                   
                                   25      H             0.3357     -0.1300      0.2578                                   
                                   26      H             0.1213     -0.0994     -0.0454                                   
                                   27      H             0.1654     -0.0973     -0.0953                                   
                                   28      H            -0.2681      0.0574      0.0182                                   
                                   29      H            -0.4388      0.0940      0.0592                                   
                                   30      H             0.0115     -0.0382     -0.0000                                   
                                   31      H             0.0419     -0.0191      0.0013                                   
                                   32      H            -0.0139     -0.0046      0.0180                                   
                                   33      H             0.0494     -0.0330     -0.0281                                   
                                   34      H             0.0330      0.0345     -0.0241                                   
                                   35      H            -0.1475     -0.1651      0.0751                                   
                                   36      H             0.0699     -0.0263     -0.0016                                   
                                   37      H             0.0402      0.0183      0.0043                                   
                                   38      H             0.0306      0.0153      0.0115                                   
                                   39      H            -0.0033     -0.0060      0.0199                                   
                                   40      H            -0.0058     -0.0068      0.0070                                   
                                   41      H            -0.0032      0.0032     -0.0010                                   
                                   42      H            -0.3619      0.1702      0.0731                                   
                                   43      H            -0.1260      0.0733     -0.0918                                   
                                   44      H            -0.0788     -0.0350      0.0263                                   
                                   45      H            -0.1538     -0.3082     -0.0048                                   
                                   46      H            -0.0149      0.0121     -0.0051                                   
                                   47      H            -0.0067      0.0022     -0.0019                                   
                                   48      H            -0.1078      0.0663      0.0698                                   
                                   49      H            -0.0090     -0.0277      0.0047                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      87                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1283.39  cm**-1                                     
                                   Reduced mass:                       1.7280  amu                                        
                                   Force constant:                     1.6770  mdyne/A                                    
                                   IR intensity:                      18.6016  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0063      0.0088      0.0021                                   
                                   2       O             0.0020     -0.0166     -0.0093                                   
                                   3       O             0.0505      0.0029      0.0096                                   
                                   4       C             0.0471      0.0572     -0.0709                                   
                                   5       C            -0.0357     -0.0238      0.0150                                   
                                   6       C             0.0774     -0.0279      0.0132                                   
                                   7       C            -0.0653      0.0187      0.0459                                   
                                   8       C             0.0495     -0.0140      0.0153                                   
                                   9       C             0.0134      0.0312     -0.0129                                   
                                   10      C            -0.0576     -0.0202     -0.0282                                   
                                   11      C            -0.0109     -0.0351      0.0212                                   
                                   12      C             0.0059      0.0003     -0.0299                                   
                                   13      C            -0.0209     -0.0029      0.0357                                   
                                   14      C             0.0649     -0.0205      0.0044                                   
                                   15      C             0.0477      0.0471     -0.0078                                   
                                   16      C            -0.0007     -0.0104      0.0025                                   
                                   17      C             0.0235      0.0146      0.0093                                   
                                   18      C             0.0077     -0.0327      0.0180                                   
                                   19      C            -0.0289      0.0198      0.0102                                   
                                   20      C            -0.0196      0.0055     -0.0009                                   
                                   21      C            -0.0871      0.0018     -0.0198                                   
                                   22      C             0.0064     -0.0039      0.0019                                   
                                   23      C            -0.0051     -0.0176      0.0024                                   
                                   24      H            -0.1584     -0.1468     -0.0105                                   
                                   25      H            -0.0163      0.1123     -0.0443                                   
                                   26      H             0.0808     -0.0032     -0.0792                                   
                                   27      H             0.1179     -0.0670     -0.0708                                   
                                   28      H            -0.0217      0.0103      0.0186                                   
                                   29      H            -0.3568      0.0860     -0.0173                                   
                                   30      H            -0.0507      0.0714      0.0031                                   
                                   31      H            -0.0269     -0.0582     -0.1042                                   
                                   32      H             0.1557     -0.0515     -0.1422                                   
                                   33      H            -0.2036      0.1069      0.1639                                   
                                   34      H            -0.1052     -0.0802      0.0996                                   
                                   35      H             0.1827      0.1971     -0.1206                                   
                                   36      H            -0.4477      0.0651      0.0115                                   
                                   37      H            -0.1838     -0.1170     -0.0273                                   
                                   38      H            -0.2060     -0.1273     -0.0186                                   
                                   39      H            -0.0017      0.0080     -0.0020                                   
                                   40      H             0.0118      0.0126     -0.0341                                   
                                   41      H             0.0109      0.0117      0.0386                                   
                                   42      H            -0.0733     -0.0057      0.0411                                   
                                   43      H             0.0024      0.0100     -0.0621                                   
                                   44      H             0.2296      0.0895     -0.0774                                   
                                   45      H            -0.0115     -0.0299     -0.0004                                   
                                   46      H             0.0456     -0.0342      0.0163                                   
                                   47      H             0.0296     -0.0048      0.0081                                   
                                   48      H            -0.1147      0.0702      0.0958                                   
                                   49      H             0.0335      0.1050     -0.0181                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      88                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1294.96  cm**-1                                     
                                   Reduced mass:                       1.5744  amu                                        
                                   Force constant:                     1.5556  mdyne/A                                    
                                   IR intensity:                       2.8646  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0037      0.0049      0.0019                                   
                                   2       O            -0.0009      0.0135      0.0039                                   
                                   3       O            -0.0038      0.0013     -0.0017                                   
                                   4       C             0.0080      0.0789     -0.0001                                   
                                   5       C             0.0293     -0.0382      0.0087                                   
                                   6       C            -0.0634      0.0733     -0.0149                                   
                                   7       C             0.0396     -0.0523     -0.0101                                   
                                   8       C            -0.0623      0.0007      0.0028                                   
                                   9       C            -0.0394      0.0177     -0.0255                                   
                                   10      C             0.0536     -0.0250      0.0118                                   
                                   11      C            -0.0169     -0.0403      0.0225                                   
                                   12      C            -0.0086      0.0175      0.0156                                   
                                   13      C             0.0125     -0.0238     -0.0187                                   
                                   14      C             0.0537      0.0038      0.0087                                   
                                   15      C             0.0687      0.0539     -0.0372                                   
                                   16      C             0.0106     -0.0074      0.0079                                   
                                   17      C            -0.0102     -0.0108     -0.0027                                   
                                   18      C            -0.0024      0.0019      0.0001                                   
                                   19      C            -0.0120     -0.0034      0.0205                                   
                                   20      C             0.0092      0.0095     -0.0037                                   
                                   21      C             0.0170     -0.0247      0.0096                                   
                                   22      C            -0.0048      0.0052     -0.0028                                   
                                   23      C             0.0010      0.0031     -0.0012                                   
                                   24      H            -0.0407      0.0774     -0.0012                                   
                                   25      H             0.0623     -0.2616      0.0609                                   
                                   26      H            -0.0201      0.0304      0.0191                                   
                                   27      H            -0.1614      0.0688      0.1909                                   
                                   28      H             0.2988     -0.0416      0.0078                                   
                                   29      H             0.0776     -0.0168     -0.0309                                   
                                   30      H             0.2149     -0.0401      0.0422                                   
                                   31      H            -0.0910     -0.0329     -0.1133                                   
                                   32      H            -0.0930      0.0223      0.0754                                   
                                   33      H             0.1295     -0.0615     -0.0957                                   
                                   34      H             0.0820      0.0819     -0.0789                                   
                                   35      H            -0.1025     -0.1336      0.0421                                   
                                   36      H            -0.5149     -0.1417      0.0206                                   
                                   37      H            -0.2636     -0.1044     -0.0627                                   
                                   38      H            -0.2668     -0.1886     -0.0047                                   
                                   39      H            -0.0082      0.0295      0.0393                                   
                                   40      H            -0.0076      0.0009     -0.0414                                   
                                   41      H            -0.0230      0.0134      0.0174                                   
                                   42      H             0.0037      0.0326     -0.0219                                   
                                   43      H            -0.0767      0.0320      0.0259                                   
                                   44      H            -0.1145     -0.0625      0.0350                                   
                                   45      H            -0.0322     -0.0645     -0.0006                                   
                                   46      H            -0.0053      0.0167     -0.0084                                   
                                   47      H             0.0058      0.0055      0.0003                                   
                                   48      H             0.0879     -0.0525     -0.0782                                   
                                   49      H             0.0006      0.0043     -0.0001                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      89                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1301.17  cm**-1                                     
                                   Reduced mass:                       1.4125  amu                                        
                                   Force constant:                     1.4090  mdyne/A                                    
                                   IR intensity:                       0.6671  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0042      0.0008      0.0018                                   
                                   2       O            -0.0007      0.0057      0.0035                                   
                                   3       O             0.0017      0.0042     -0.0008                                   
                                   4       C             0.0097     -0.0454      0.0372                                   
                                   5       C             0.0105     -0.0733     -0.0018                                   
                                   6       C             0.0065      0.0497     -0.0156                                   
                                   7       C            -0.0576      0.0182      0.0382                                   
                                   8       C            -0.0578      0.0202      0.0000                                   
                                   9       C            -0.0263      0.0521     -0.0224                                   
                                   10      C             0.0373     -0.0046     -0.0008                                   
                                   11      C             0.0140      0.0203     -0.0058                                   
                                   12      C            -0.0004      0.0189     -0.0421                                   
                                   13      C             0.0058     -0.0165      0.0183                                   
                                   14      C             0.0365     -0.0546     -0.0020                                   
                                   15      C            -0.0357     -0.0067      0.0021                                   
                                   16      C             0.0093     -0.0117      0.0010                                   
                                   17      C            -0.0123     -0.0013     -0.0042                                   
                                   18      C            -0.0046     -0.0168      0.0092                                   
                                   19      C             0.0045     -0.0097      0.0091                                   
                                   20      C            -0.0019      0.0070     -0.0030                                   
                                   21      C             0.0015      0.0072     -0.0024                                   
                                   22      C            -0.0176      0.0085     -0.0060                                   
                                   23      C             0.0036     -0.0096      0.0029                                   
                                   24      H            -0.0537      0.5889      0.0063                                   
                                   25      H             0.1203     -0.1800      0.0618                                   
                                   26      H             0.1461     -0.0666     -0.1205                                   
                                   27      H             0.3171     -0.1716     -0.2156                                   
                                   28      H             0.1025     -0.0434     -0.0249                                   
                                   29      H             0.2546     -0.0495     -0.0074                                   
                                   30      H             0.0107     -0.0357      0.0004                                   
                                   31      H            -0.1046      0.0948      0.0390                                   
                                   32      H             0.1264     -0.0187     -0.1335                                   
                                   33      H            -0.0919      0.0558      0.0799                                   
                                   34      H            -0.1335     -0.0936      0.1104                                   
                                   35      H             0.0359      0.0137     -0.0596                                   
                                   36      H            -0.1275      0.2164     -0.0033                                   
                                   37      H             0.0588      0.0104      0.0103                                   
                                   38      H             0.1909      0.1446      0.0037                                   
                                   39      H            -0.0081      0.0170      0.0405                                   
                                   40      H            -0.0126     -0.0088     -0.0346                                   
                                   41      H            -0.0189      0.0300      0.0468                                   
                                   42      H             0.0418     -0.0166     -0.0123                                   
                                   43      H            -0.0048      0.0005      0.0247                                   
                                   44      H            -0.0092     -0.0217     -0.0028                                   
                                   45      H            -0.0296     -0.0517     -0.0032                                   
                                   46      H             0.0619     -0.0267      0.0134                                   
                                   47      H             0.0255      0.0069      0.0041                                   
                                   48      H             0.0343     -0.0205     -0.0317                                   
                                   49      H             0.0145      0.0291     -0.0045                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      90                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1302.70  cm**-1                                     
                                   Reduced mass:                       1.7898  amu                                        
                                   Force constant:                     1.7896  mdyne/A                                    
                                   IR intensity:                       0.7782  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0014     -0.0016     -0.0035                                   
                                   2       O             0.0011      0.0034      0.0040                                   
                                   3       O             0.0125     -0.0063      0.0047                                   
                                   4       C             0.0565      0.0436     -0.0033                                   
                                   5       C            -0.0972     -0.0561     -0.0210                                   
                                   6       C             0.0090      0.0743     -0.0165                                   
                                   7       C            -0.0428     -0.0149      0.0374                                   
                                   8       C            -0.0323      0.0045     -0.0013                                   
                                   9       C             0.0880     -0.0470      0.0564                                   
                                   10      C             0.0056     -0.0185      0.0115                                   
                                   11      C             0.0072     -0.0214     -0.0053                                   
                                   12      C             0.0188      0.0178     -0.0033                                   
                                   13      C            -0.0122     -0.0379      0.0143                                   
                                   14      C            -0.0686      0.1149      0.0079                                   
                                   15      C             0.0182     -0.0114     -0.0111                                   
                                   16      C            -0.0280      0.0172     -0.0178                                   
                                   17      C            -0.0129      0.0058     -0.0035                                   
                                   18      C             0.0137      0.0114     -0.0093                                   
                                   19      C            -0.0107      0.0265     -0.0227                                   
                                   20      C            -0.0023     -0.0170      0.0072                                   
                                   21      C            -0.0366     -0.0031     -0.0062                                   
                                   22      C             0.0351     -0.0181      0.0125                                   
                                   23      C            -0.0082      0.0092     -0.0034                                   
                                   24      H             0.2097      0.2096      0.0274                                   
                                   25      H             0.0320     -0.2818     -0.0116                                   
                                   26      H             0.1223     -0.0197     -0.1092                                   
                                   27      H             0.1483     -0.0932     -0.0402                                   
                                   28      H             0.1316     -0.0210     -0.0032                                   
                                   29      H             0.0332     -0.0052     -0.0132                                   
                                   30      H            -0.0923      0.0454     -0.0218                                   
                                   31      H             0.0422     -0.0400     -0.0116                                   
                                   32      H             0.0905     -0.0906     -0.0834                                   
                                   33      H            -0.1128      0.0900      0.0584                                   
                                   34      H             0.0425      0.0516     -0.0347                                   
                                   35      H             0.0446      0.0205     -0.0597                                   
                                   36      H             0.3207     -0.5503      0.0135                                   
                                   37      H             0.0934      0.1038     -0.0020                                   
                                   38      H            -0.2755     -0.2153      0.0148                                   
                                   39      H             0.0107     -0.0667     -0.0684                                   
                                   40      H             0.0356      0.0152      0.0875                                   
                                   41      H             0.0698     -0.0393     -0.0423                                   
                                   42      H             0.0879     -0.0461     -0.0128                                   
                                   43      H            -0.0042      0.0032      0.0113                                   
                                   44      H             0.0773      0.0466     -0.0239                                   
                                   45      H             0.0127      0.0233      0.0003                                   
                                   46      H            -0.0934      0.0329     -0.0061                                   
                                   47      H            -0.0373     -0.0160     -0.0048                                   
                                   48      H             0.0229     -0.0129     -0.0171                                   
                                   49      H            -0.0161     -0.0242      0.0026                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      91                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1310.24  cm**-1                                     
                                   Reduced mass:                       1.6465  amu                                        
                                   Force constant:                     1.6653  mdyne/A                                    
                                   IR intensity:                       0.3999  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0012      0.0012     -0.0031                                   
                                   2       O             0.0012     -0.0014     -0.0021                                   
                                   3       O            -0.0065      0.0011     -0.0015                                   
                                   4       C             0.0500      0.1336     -0.0721                                   
                                   5       C            -0.0256     -0.0786      0.0134                                   
                                   6       C            -0.0003      0.0557      0.0060                                   
                                   7       C             0.0212     -0.0591      0.0029                                   
                                   8       C            -0.0103     -0.0164      0.0069                                   
                                   9       C             0.0019      0.0464     -0.0206                                   
                                   10      C            -0.0122     -0.0257      0.0084                                   
                                   11      C             0.0019     -0.0146     -0.0095                                   
                                   12      C             0.0015      0.0293      0.0054                                   
                                   13      C            -0.0140     -0.0420      0.0057                                   
                                   14      C            -0.0099     -0.0542     -0.0109                                   
                                   15      C            -0.0570     -0.0339      0.0475                                   
                                   16      C             0.0023     -0.0125      0.0032                                   
                                   17      C             0.0053      0.0036      0.0022                                   
                                   18      C            -0.0059     -0.0142      0.0092                                   
                                   19      C             0.0133     -0.0081     -0.0012                                   
                                   20      C            -0.0019      0.0015     -0.0010                                   
                                   21      C             0.0102      0.0187     -0.0031                                   
                                   22      C            -0.0102      0.0037     -0.0031                                   
                                   23      C             0.0026     -0.0047      0.0018                                   
                                   24      H            -0.0034      0.0485      0.0119                                   
                                   25      H            -0.0672     -0.1880     -0.0544                                   
                                   26      H            -0.0556      0.0941      0.0261                                   
                                   27      H            -0.2296      0.0987      0.2558                                   
                                   28      H             0.2306      0.0043      0.0388                                   
                                   29      H            -0.1775      0.0367     -0.0261                                   
                                   30      H            -0.3146      0.2101     -0.0549                                   
                                   31      H             0.3994     -0.1945      0.0884                                   
                                   32      H            -0.0053     -0.0290     -0.0051                                   
                                   33      H             0.0143      0.0191     -0.0296                                   
                                   34      H             0.0692      0.0833     -0.0634                                   
                                   35      H             0.0578      0.0354     -0.0550                                   
                                   36      H             0.1692      0.3655     -0.0205                                   
                                   37      H             0.2139      0.0270      0.0665                                   
                                   38      H             0.1977      0.1541     -0.0116                                   
                                   39      H            -0.0069      0.0393      0.0012                                   
                                   40      H             0.0086      0.0055     -0.0216                                   
                                   41      H            -0.0126      0.0218      0.0411                                   
                                   42      H            -0.0228      0.0096      0.0069                                   
                                   43      H            -0.0347      0.0201     -0.0193                                   
                                   44      H            -0.0134     -0.0181      0.0085                                   
                                   45      H             0.0184      0.0245      0.0033                                   
                                   46      H             0.0643     -0.0347      0.0119                                   
                                   47      H             0.0130      0.0031      0.0031                                   
                                   48      H            -0.0078      0.0054      0.0077                                   
                                   49      H             0.0026     -0.0031      0.0004                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      92                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1322.32  cm**-1                                     
                                   Reduced mass:                       1.3009  amu                                        
                                   Force constant:                     1.3402  mdyne/A                                    
                                   IR intensity:                      68.9644  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0056     -0.0191     -0.0102                                   
                                   2       O             0.0059     -0.0690     -0.0397                                   
                                   3       O            -0.0027      0.0000     -0.0006                                   
                                   4       C            -0.0092      0.0154      0.0313                                   
                                   5       C             0.0049     -0.0216     -0.0107                                   
                                   6       C            -0.0109     -0.0194     -0.0135                                   
                                   7       C             0.0143     -0.0052     -0.0180                                   
                                   8       C            -0.0174     -0.0063     -0.0145                                   
                                   9       C            -0.0008      0.0021      0.0054                                   
                                   10      C             0.0160      0.0335      0.0754                                   
                                   11      C             0.0078     -0.0081     -0.0059                                   
                                   12      C            -0.0212      0.0080      0.0083                                   
                                   13      C             0.0170      0.0067     -0.0013                                   
                                   14      C             0.0013      0.0104      0.0014                                   
                                   15      C            -0.0016      0.0001     -0.0056                                   
                                   16      C             0.0005      0.0004     -0.0002                                   
                                   17      C             0.0260      0.0666      0.0061                                   
                                   18      C            -0.0018     -0.0000     -0.0006                                   
                                   19      C            -0.0002     -0.0023      0.0013                                   
                                   20      C             0.0009      0.0023     -0.0011                                   
                                   21      C             0.0062     -0.0031      0.0020                                   
                                   22      C            -0.0017      0.0007     -0.0005                                   
                                   23      C             0.0010      0.0013     -0.0001                                   
                                   24      H            -0.0030      0.1429     -0.0045                                   
                                   25      H            -0.0689     -0.0167     -0.0566                                   
                                   26      H            -0.0050      0.0169     -0.0086                                   
                                   27      H            -0.0950      0.0500      0.0511                                   
                                   28      H             0.0795     -0.0236     -0.0155                                   
                                   29      H             0.1299     -0.0264     -0.0443                                   
                                   30      H             0.0313     -0.0173     -0.0008                                   
                                   31      H            -0.0242      0.0148      0.0060                                   
                                   32      H             0.0921     -0.0157     -0.0755                                   
                                   33      H             0.0191     -0.0063     -0.0448                                   
                                   34      H            -0.0392     -0.0282      0.0350                                   
                                   35      H             0.0034     -0.0065     -0.0260                                   
                                   36      H            -0.0213     -0.0722      0.0039                                   
                                   37      H             0.0193      0.0170     -0.0030                                   
                                   38      H            -0.0295     -0.0222      0.0024                                   
                                   39      H             0.0017     -0.0030     -0.0036                                   
                                   40      H            -0.0024      0.0008     -0.0078                                   
                                   41      H             0.0001     -0.0040     -0.0073                                   
                                   42      H            -0.4545      0.1923      0.1034                                   
                                   43      H             0.3787     -0.1604     -0.1949                                   
                                   44      H            -0.0145     -0.0066      0.0042                                   
                                   45      H             0.0897      0.1504      0.0110                                   
                                   46      H             0.0042      0.0016      0.0013                                   
                                   47      H             0.0004      0.0007      0.0001                                   
                                   48      H            -0.4243      0.2518      0.3728                                   
                                   49      H            -0.0005     -0.0034      0.0008                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      93                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1332.62  cm**-1                                     
                                   Reduced mass:                       1.4912  amu                                        
                                   Force constant:                     1.5603  mdyne/A                                    
                                   IR intensity:                      10.0107  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0003      0.0194      0.0163                                   
                                   2       O            -0.0016      0.0078      0.0067                                   
                                   3       O             0.0066     -0.0001      0.0014                                   
                                   4       C            -0.0050      0.0511      0.0227                                   
                                   5       C            -0.0225     -0.0397     -0.0214                                   
                                   6       C            -0.0701     -0.1082     -0.0200                                   
                                   7       C             0.0427     -0.0074     -0.0330                                   
                                   8       C            -0.0261      0.0025      0.0081                                   
                                   9       C             0.0131      0.0080      0.0193                                   
                                   10      C             0.0678     -0.0059     -0.0473                                   
                                   11      C             0.0193     -0.0215     -0.0063                                   
                                   12      C            -0.0253     -0.0031     -0.0079                                   
                                   13      C             0.0454      0.0513      0.0313                                   
                                   14      C            -0.0015      0.0108      0.0001                                   
                                   15      C            -0.0113     -0.0036     -0.0009                                   
                                   16      C            -0.0016      0.0005     -0.0008                                   
                                   17      C            -0.0270      0.0030     -0.0035                                   
                                   18      C             0.0063      0.0008     -0.0016                                   
                                   19      C            -0.0037      0.0100     -0.0040                                   
                                   20      C             0.0018     -0.0071      0.0030                                   
                                   21      C            -0.0171      0.0005     -0.0038                                   
                                   22      C             0.0085     -0.0029      0.0026                                   
                                   23      C            -0.0038     -0.0027     -0.0001                                   
                                   24      H            -0.0462      0.2093     -0.0136                                   
                                   25      H             0.2391      0.4814      0.2374                                   
                                   26      H            -0.0148     -0.0029      0.0140                                   
                                   27      H            -0.3064      0.1640      0.1865                                   
                                   28      H             0.0492      0.0148      0.0235                                   
                                   29      H            -0.0012      0.0023     -0.0040                                   
                                   30      H            -0.0360      0.0449     -0.0132                                   
                                   31      H             0.0160     -0.0049      0.0229                                   
                                   32      H             0.3366     -0.1202     -0.2835                                   
                                   33      H            -0.1190      0.0450      0.1045                                   
                                   34      H            -0.1479     -0.0420      0.1523                                   
                                   35      H            -0.0412     -0.0359      0.0201                                   
                                   36      H             0.0284     -0.0785      0.0021                                   
                                   37      H             0.0610      0.0284      0.0054                                   
                                   38      H            -0.0307     -0.0189     -0.0014                                   
                                   39      H             0.0082     -0.0101     -0.0306                                   
                                   40      H            -0.0024      0.0028     -0.0153                                   
                                   41      H             0.0035     -0.0092     -0.0146                                   
                                   42      H             0.1265     -0.0852     -0.0128                                   
                                   43      H             0.0294     -0.0168      0.0495                                   
                                   44      H             0.0083     -0.0007     -0.0078                                   
                                   45      H            -0.1262     -0.2311     -0.0096                                   
                                   46      H            -0.0277      0.0097      0.0012                                   
                                   47      H            -0.0018     -0.0025      0.0002                                   
                                   48      H             0.0403     -0.0237     -0.0424                                   
                                   49      H            -0.0005      0.0067     -0.0019                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      94                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1339.90  cm**-1                                     
                                   Reduced mass:                       1.4540  amu                                        
                                   Force constant:                     1.5380  mdyne/A                                    
                                   IR intensity:                      19.6881  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0033     -0.0176     -0.0129                                   
                                   2       O            -0.0015      0.0315     -0.0054                                   
                                   3       O             0.0064      0.0013      0.0010                                   
                                   4       C            -0.0344      0.0198      0.0344                                   
                                   5       C             0.0033     -0.0300     -0.0031                                   
                                   6       C             0.0114     -0.0392     -0.0075                                   
                                   7       C             0.0194      0.0004     -0.0221                                   
                                   8       C             0.0221     -0.0118     -0.0205                                   
                                   9       C            -0.0025      0.0017      0.0056                                   
                                   10      C            -0.0517      0.0412      0.0661                                   
                                   11      C             0.0590     -0.0306     -0.0072                                   
                                   12      C             0.0152     -0.0060     -0.0269                                   
                                   13      C             0.0028      0.0183      0.0074                                   
                                   14      C             0.0182      0.0201      0.0052                                   
                                   15      C            -0.0281     -0.0029     -0.0043                                   
                                   16      C             0.0011     -0.0002     -0.0028                                   
                                   17      C             0.0801     -0.0906     -0.0026                                   
                                   18      C             0.0031     -0.0021      0.0003                                   
                                   19      C            -0.0032      0.0021      0.0011                                   
                                   20      C             0.0011     -0.0002      0.0003                                   
                                   21      C            -0.0133     -0.0037     -0.0019                                   
                                   22      C            -0.0005      0.0013     -0.0004                                   
                                   23      C            -0.0007     -0.0034      0.0006                                   
                                   24      H            -0.0330      0.2274      0.0015                                   
                                   25      H            -0.1089      0.0611     -0.0901                                   
                                   26      H            -0.0262      0.0151      0.0119                                   
                                   27      H            -0.1023      0.0577      0.0442                                   
                                   28      H            -0.0256      0.0115     -0.0046                                   
                                   29      H             0.0149     -0.0119     -0.0047                                   
                                   30      H            -0.1501      0.0562     -0.0332                                   
                                   31      H            -0.1487      0.0888      0.0021                                   
                                   32      H            -0.0267      0.0085      0.0095                                   
                                   33      H            -0.0883      0.0343      0.1214                                   
                                   34      H            -0.0084      0.0004      0.0155                                   
                                   35      H            -0.0053      0.0067      0.0142                                   
                                   36      H            -0.0777     -0.1140      0.0104                                   
                                   37      H             0.1242      0.0664      0.0094                                   
                                   38      H            -0.0494     -0.0188     -0.0118                                   
                                   39      H            -0.0011      0.0041      0.0023                                   
                                   40      H            -0.0004     -0.0037      0.0058                                   
                                   41      H            -0.0055      0.0021     -0.0018                                   
                                   42      H            -0.4620      0.3009      0.0123                                   
                                   43      H            -0.4870      0.2362      0.0845                                   
                                   44      H             0.0171      0.0048     -0.0079                                   
                                   45      H             0.1034      0.2025      0.0046                                   
                                   46      H            -0.0111      0.0060     -0.0005                                   
                                   47      H             0.0064      0.0012      0.0016                                   
                                   48      H             0.1967     -0.1167     -0.1800                                   
                                   49      H             0.0050      0.0148     -0.0027                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      95                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1342.43  cm**-1                                     
                                   Reduced mass:                       1.7611  amu                                        
                                   Force constant:                     1.8699  mdyne/A                                    
                                   IR intensity:                       4.9934  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0022      0.0066      0.0015                                   
                                   2       O             0.0010     -0.0073      0.0083                                   
                                   3       O            -0.0143      0.0013     -0.0035                                   
                                   4       C            -0.0872      0.0256      0.0688                                   
                                   5       C             0.0439     -0.0404     -0.0035                                   
                                   6       C             0.0455      0.0373      0.0345                                   
                                   7       C             0.0365     -0.0235     -0.0504                                   
                                   8       C             0.0769     -0.0080     -0.0051                                   
                                   9       C            -0.0093      0.0035      0.0032                                   
                                   10      C            -0.0306     -0.0295     -0.0398                                   
                                   11      C             0.0766     -0.0281     -0.0114                                   
                                   12      C            -0.0090      0.0231     -0.0090                                   
                                   13      C            -0.0410     -0.0547      0.0147                                   
                                   14      C             0.0365      0.0550      0.0085                                   
                                   15      C            -0.0519     -0.0260     -0.0216                                   
                                   16      C             0.0040     -0.0002      0.0061                                   
                                   17      C            -0.0341      0.0373      0.0010                                   
                                   18      C            -0.0246     -0.0208      0.0086                                   
                                   19      C             0.0089     -0.0432      0.0210                                   
                                   20      C            -0.0111      0.0350     -0.0150                                   
                                   21      C             0.0438     -0.0091      0.0106                                   
                                   22      C            -0.0400      0.0147     -0.0122                                   
                                   23      C             0.0172      0.0074      0.0017                                   
                                   24      H            -0.0842      0.3336     -0.0049                                   
                                   25      H            -0.1217      0.0048     -0.0951                                   
                                   26      H            -0.1517      0.1161      0.0783                                   
                                   27      H            -0.0538      0.0289      0.0306                                   
                                   28      H            -0.2949      0.0587      0.0077                                   
                                   29      H            -0.2892      0.0542      0.0528                                   
                                   30      H            -0.1027     -0.0110     -0.0291                                   
                                   31      H            -0.1579      0.1025     -0.0029                                   
                                   32      H            -0.0434      0.0610      0.0250                                   
                                   33      H             0.0995     -0.0326     -0.1155                                   
                                   34      H             0.0522      0.0708     -0.0555                                   
                                   35      H             0.1512      0.1447     -0.0873                                   
                                   36      H            -0.2435     -0.2968      0.0227                                   
                                   37      H             0.2211      0.1551      0.0059                                   
                                   38      H            -0.0170     -0.0157      0.0116                                   
                                   39      H             0.0096      0.0145     -0.0402                                   
                                   40      H            -0.0150     -0.0024     -0.0276                                   
                                   41      H            -0.0266     -0.0106     -0.0304                                   
                                   42      H             0.3046     -0.2034     -0.0119                                   
                                   43      H             0.1645     -0.0787     -0.0168                                   
                                   44      H             0.0739      0.0436     -0.0184                                   
                                   45      H            -0.0091     -0.0269      0.0017                                   
                                   46      H             0.1150     -0.0292      0.0156                                   
                                   47      H             0.0213      0.0125      0.0027                                   
                                   48      H            -0.0449      0.0271      0.0467                                   
                                   49      H             0.0135     -0.0015      0.0031                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      96                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1349.38  cm**-1                                     
                                   Reduced mass:                       1.4221  amu                                        
                                   Force constant:                     1.5256  mdyne/A                                    
                                   IR intensity:                       0.4101  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0028      0.0032      0.0043                                   
                                   2       O            -0.0005     -0.0066     -0.0009                                   
                                   3       O             0.0055      0.0012      0.0008                                   
                                   4       C            -0.0263     -0.0142     -0.0556                                   
                                   5       C            -0.0184      0.0426      0.0084                                   
                                   6       C            -0.0247      0.0048     -0.0144                                   
                                   7       C            -0.0060      0.0050      0.0226                                   
                                   8       C            -0.0333      0.0135      0.0150                                   
                                   9       C            -0.0001     -0.0069     -0.0413                                   
                                   10      C             0.0351     -0.0009     -0.0087                                   
                                   11      C             0.1285     -0.0621      0.0129                                   
                                   12      C             0.0031     -0.0152      0.0187                                   
                                   13      C             0.0107      0.0177     -0.0149                                   
                                   14      C             0.0248     -0.0005      0.0110                                   
                                   15      C            -0.0403      0.0155      0.0156                                   
                                   16      C            -0.0009     -0.0022      0.0013                                   
                                   17      C            -0.0138      0.0145      0.0014                                   
                                   18      C             0.0015     -0.0035      0.0045                                   
                                   19      C             0.0006     -0.0023      0.0049                                   
                                   20      C            -0.0027      0.0008      0.0002                                   
                                   21      C            -0.0097      0.0005     -0.0022                                   
                                   22      C            -0.0056      0.0045     -0.0025                                   
                                   23      C             0.0003     -0.0047      0.0011                                   
                                   24      H             0.2859     -0.2885      0.0310                                   
                                   25      H             0.0961     -0.0350      0.0743                                   
                                   26      H             0.0066     -0.0595      0.0311                                   
                                   27      H             0.0804     -0.0412     -0.0237                                   
                                   28      H             0.1118     -0.0173      0.0051                                   
                                   29      H             0.1844     -0.0364      0.0078                                   
                                   30      H            -0.5789      0.2676     -0.0923                                   
                                   31      H            -0.3602      0.1896     -0.0482                                   
                                   32      H            -0.0679      0.0037      0.0696                                   
                                   33      H            -0.0029     -0.0083      0.0127                                   
                                   34      H             0.0182     -0.0078     -0.0161                                   
                                   35      H            -0.0754     -0.0703      0.0480                                   
                                   36      H            -0.1482      0.0710      0.0110                                   
                                   37      H             0.1680      0.0642      0.0296                                   
                                   38      H            -0.1230     -0.0212     -0.0684                                   
                                   39      H            -0.0090      0.0142      0.0266                                   
                                   40      H             0.0095     -0.0111      0.0570                                   
                                   41      H            -0.0054      0.0275      0.0463                                   
                                   42      H             0.0381     -0.0142     -0.0032                                   
                                   43      H             0.0989     -0.0502     -0.0249                                   
                                   44      H             0.0164      0.0026     -0.0070                                   
                                   45      H            -0.0351     -0.0637     -0.0025                                   
                                   46      H             0.0049     -0.0074     -0.0052                                   
                                   47      H             0.0156      0.0042      0.0037                                   
                                   48      H            -0.0418      0.0244      0.0360                                   
                                   49      H             0.0067      0.0170     -0.0028                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      97                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1352.30  cm**-1                                     
                                   Reduced mass:                       1.9583  amu                                        
                                   Force constant:                     2.1100  mdyne/A                                    
                                   IR intensity:                      16.7147  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0010     -0.0021     -0.0002                                   
                                   2       O            -0.0004      0.0074     -0.0023                                   
                                   3       O            -0.0333     -0.0011     -0.0069                                   
                                   4       C             0.0508     -0.0264     -0.0428                                   
                                   5       C            -0.0274      0.0423     -0.0084                                   
                                   6       C            -0.0153     -0.0252     -0.0311                                   
                                   7       C            -0.0251      0.0181      0.0299                                   
                                   8       C            -0.0385      0.0068      0.0042                                   
                                   9       C             0.0274     -0.0095     -0.0088                                   
                                   10      C             0.0169      0.0122      0.0175                                   
                                   11      C            -0.0432      0.0460      0.0053                                   
                                   12      C            -0.0277      0.0155      0.0372                                   
                                   13      C            -0.0057     -0.0144      0.0234                                   
                                   14      C             0.0309      0.0673      0.0019                                   
                                   15      C            -0.0399     -0.0592     -0.0228                                   
                                   16      C            -0.0055      0.0024      0.0038                                   
                                   17      C             0.0154     -0.0220     -0.0023                                   
                                   18      C            -0.0582     -0.0513      0.0247                                   
                                   19      C             0.0294     -0.1036      0.0446                                   
                                   20      C            -0.0400      0.0757     -0.0323                                   
                                   21      C             0.0998      0.0057      0.0177                                   
                                   22      C            -0.0913      0.0271     -0.0263                                   
                                   23      C             0.0428      0.0227      0.0034                                   
                                   24      H             0.0961     -0.3086     -0.0030                                   
                                   25      H             0.1066      0.0984      0.0702                                   
                                   26      H             0.0836     -0.0681     -0.0438                                   
                                   27      H             0.0464     -0.0214     -0.0287                                   
                                   28      H             0.1461     -0.0288     -0.0042                                   
                                   29      H             0.1402     -0.0251     -0.0209                                   
                                   30      H             0.0733     -0.0453      0.0166                                   
                                   31      H             0.2316     -0.1115      0.0108                                   
                                   32      H             0.1979     -0.1273     -0.1547                                   
                                   33      H             0.0772     -0.0387     -0.0570                                   
                                   34      H             0.0756      0.0927     -0.0481                                   
                                   35      H             0.0699      0.0591     -0.0810                                   
                                   36      H            -0.3238     -0.2739      0.0171                                   
                                   37      H             0.1687      0.1534      0.0012                                   
                                   38      H             0.1570      0.0477      0.0846                                   
                                   39      H             0.0053     -0.0109     -0.0228                                   
                                   40      H             0.0009      0.0043      0.0003                                   
                                   41      H             0.0094     -0.0112     -0.0107                                   
                                   42      H            -0.1346      0.0842      0.0046                                   
                                   43      H            -0.1118      0.0549      0.0289                                   
                                   44      H             0.2948      0.1667     -0.0843                                   
                                   45      H            -0.0048     -0.0006     -0.0029                                   
                                   46      H             0.2828     -0.0913      0.0401                                   
                                   47      H             0.0362      0.0219      0.0038                                   
                                   48      H             0.0441     -0.0260     -0.0431                                   
                                   49      H             0.0270     -0.0240      0.0117                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      98                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1358.76  cm**-1                                     
                                   Reduced mass:                       1.9337  amu                                        
                                   Force constant:                     2.1034  mdyne/A                                    
                                   IR intensity:                      16.0223  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0001     -0.0004     -0.0007                                   
                                   2       O             0.0004      0.0040     -0.0001                                   
                                   3       O            -0.0486     -0.0086     -0.0076                                   
                                   4       C            -0.0293      0.0076      0.0041                                   
                                   5       C             0.0225     -0.0135     -0.0087                                   
                                   6       C             0.0051      0.0042     -0.0051                                   
                                   7       C             0.0011     -0.0005      0.0007                                   
                                   8       C             0.0053      0.0004      0.0025                                   
                                   9       C             0.0363      0.0238      0.0130                                   
                                   10      C            -0.0020     -0.0003      0.0047                                   
                                   11      C             0.0316     -0.0460     -0.0002                                   
                                   12      C            -0.0228      0.0150      0.0072                                   
                                   13      C            -0.0036     -0.0171      0.0134                                   
                                   14      C            -0.1248     -0.0634     -0.0088                                   
                                   15      C             0.1025      0.0873      0.0267                                   
                                   16      C            -0.0058      0.0004      0.0154                                   
                                   17      C             0.0053     -0.0077     -0.0013                                   
                                   18      C            -0.0504     -0.0347      0.0188                                   
                                   19      C             0.0259     -0.0710      0.0083                                   
                                   20      C            -0.0328      0.0442     -0.0205                                   
                                   21      C             0.1166      0.0468      0.0117                                   
                                   22      C            -0.0463     -0.0003     -0.0101                                   
                                   23      C             0.0328      0.0316     -0.0001                                   
                                   24      H            -0.2052      0.0567     -0.0315                                   
                                   25      H             0.0106      0.0067      0.0005                                   
                                   26      H             0.0034      0.0012     -0.0026                                   
                                   27      H             0.0206     -0.0139     -0.0273                                   
                                   28      H             0.0059     -0.0186     -0.0113                                   
                                   29      H             0.0047      0.0052     -0.0199                                   
                                   30      H            -0.1134      0.0697     -0.0199                                   
                                   31      H            -0.2653      0.1116     -0.0418                                   
                                   32      H             0.1349     -0.0413     -0.1137                                   
                                   33      H             0.0517     -0.0239     -0.0510                                   
                                   34      H            -0.0005      0.0191      0.0040                                   
                                   35      H             0.0604      0.0479     -0.0587                                   
                                   36      H             0.4481      0.2393     -0.0210                                   
                                   37      H            -0.2873     -0.2108     -0.0135                                   
                                   38      H            -0.3354     -0.1788     -0.0856                                   
                                   39      H             0.0217     -0.0119     -0.0883                                   
                                   40      H            -0.0064      0.0314     -0.0989                                   
                                   41      H             0.0147     -0.0449     -0.0569                                   
                                   42      H            -0.0329      0.0126      0.0033                                   
                                   43      H            -0.0575      0.0299      0.0194                                   
                                   44      H             0.2055      0.1231     -0.0566                                   
                                   45      H             0.0028      0.0057     -0.0001                                   
                                   46      H             0.2540     -0.1017      0.0432                                   
                                   47      H             0.0099     -0.0024      0.0056                                   
                                   48      H             0.0234     -0.0134     -0.0220                                   
                                   49      H            -0.0066     -0.0979      0.0223                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      99                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1359.88  cm**-1                                     
                                   Reduced mass:                       1.3891  amu                                        
                                   Force constant:                     1.5135  mdyne/A                                    
                                   IR intensity:                       2.5607  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0011     -0.0020     -0.0011                                   
                                   2       O            -0.0004      0.0030     -0.0009                                   
                                   3       O             0.0082      0.0009      0.0015                                   
                                   4       C            -0.0098     -0.0111      0.0323                                   
                                   5       C            -0.0196     -0.0027     -0.0116                                   
                                   6       C             0.0027     -0.0285     -0.0461                                   
                                   7       C            -0.0044      0.0075      0.0035                                   
                                   8       C             0.0023      0.0010     -0.0074                                   
                                   9       C            -0.0075      0.0067     -0.0368                                   
                                   10      C             0.0115      0.0088      0.0148                                   
                                   11      C             0.0008     -0.0029     -0.0035                                   
                                   12      C            -0.0217      0.0500      0.0386                                   
                                   13      C            -0.0756     -0.0851      0.0686                                   
                                   14      C             0.0019     -0.0263      0.0027                                   
                                   15      C             0.0132      0.0158      0.0049                                   
                                   16      C            -0.0030     -0.0058     -0.0103                                   
                                   17      C             0.0067     -0.0090     -0.0036                                   
                                   18      C             0.0167      0.0157     -0.0056                                   
                                   19      C            -0.0086      0.0320     -0.0102                                   
                                   20      C             0.0121     -0.0217      0.0094                                   
                                   21      C            -0.0242     -0.0074     -0.0027                                   
                                   22      C             0.0269     -0.0061      0.0072                                   
                                   23      C            -0.0139     -0.0075     -0.0012                                   
                                   24      H             0.3792      0.0423      0.0392                                   
                                   25      H             0.1271      0.2622      0.0684                                   
                                   26      H             0.0446      0.0024     -0.0458                                   
                                   27      H            -0.0018     -0.0058     -0.0679                                   
                                   28      H            -0.0552      0.0153      0.0011                                   
                                   29      H             0.0164     -0.0105      0.0230                                   
                                   30      H             0.0465     -0.0311      0.0057                                   
                                   31      H            -0.0641      0.0331     -0.0029                                   
                                   32      H             0.1132     -0.1011     -0.0954                                   
                                   33      H             0.2469     -0.0924     -0.2202                                   
                                   34      H             0.2934      0.3362     -0.2255                                   
                                   35      H             0.2761      0.2686     -0.2269                                   
                                   36      H             0.0006      0.1506     -0.0039                                   
                                   37      H            -0.0727     -0.0485     -0.0045                                   
                                   38      H            -0.0218      0.0002     -0.0240                                   
                                   39      H            -0.0310      0.0300      0.0943                                   
                                   40      H             0.0404      0.0011      0.0798                                   
                                   41      H             0.0170      0.0393      0.0752                                   
                                   42      H            -0.0695      0.0386      0.0030                                   
                                   43      H            -0.0433      0.0223      0.0181                                   
                                   44      H            -0.1520     -0.0854      0.0488                                   
                                   45      H            -0.0022      0.0014     -0.0026                                   
                                   46      H            -0.0785      0.0229     -0.0162                                   
                                   47      H            -0.0107     -0.0044     -0.0017                                   
                                   48      H             0.0176     -0.0106     -0.0176                                   
                                   49      H            -0.0087      0.0089     -0.0039                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      100                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1374.10  cm**-1                                     
                                   Reduced mass:                       1.3733  amu                                        
                                   Force constant:                     1.5277  mdyne/A                                    
                                   IR intensity:                       0.2719  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0011     -0.0013     -0.0022                                   
                                   2       O             0.0014      0.0080      0.0010                                   
                                   3       O             0.0066      0.0018      0.0008                                   
                                   4       C            -0.0192     -0.0126     -0.0064                                   
                                   5       C             0.0233      0.0336     -0.0269                                   
                                   6       C             0.0245      0.0506      0.0405                                   
                                   7       C             0.0023     -0.0058     -0.0078                                   
                                   8       C             0.0127      0.0027      0.0054                                   
                                   9       C            -0.0116     -0.0020      0.0175                                   
                                   10      C            -0.0256     -0.0083     -0.0047                                   
                                   11      C             0.0158     -0.0009      0.0021                                   
                                   12      C            -0.0985      0.0441      0.0697                                   
                                   13      C             0.0467     -0.0100     -0.0266                                   
                                   14      C             0.0123      0.0004     -0.0005                                   
                                   15      C            -0.0131     -0.0042      0.0002                                   
                                   16      C             0.0059      0.0013      0.0052                                   
                                   17      C             0.0081     -0.0118     -0.0008                                   
                                   18      C             0.0139      0.0179     -0.0108                                   
                                   19      C            -0.0089      0.0277     -0.0087                                   
                                   20      C             0.0120     -0.0169      0.0073                                   
                                   21      C            -0.0191     -0.0146      0.0001                                   
                                   22      C             0.0230     -0.0030      0.0057                                   
                                   23      C            -0.0132     -0.0077     -0.0010                                   
                                   24      H            -0.0891     -0.1807     -0.0402                                   
                                   25      H            -0.1321     -0.2398     -0.0966                                   
                                   26      H            -0.0624      0.0200      0.0486                                   
                                   27      H             0.0539     -0.0231      0.0085                                   
                                   28      H            -0.0131     -0.0310     -0.0232                                   
                                   29      H            -0.0204      0.0178     -0.0331                                   
                                   30      H            -0.0580      0.0112     -0.0080                                   
                                   31      H            -0.0403      0.0245     -0.0087                                   
                                   32      H             0.4773     -0.2708     -0.4001                                   
                                   33      H             0.3070     -0.1823     -0.2083                                   
                                   34      H            -0.2130     -0.2159      0.1621                                   
                                   35      H             0.0122     -0.0406     -0.0453                                   
                                   36      H            -0.0020     -0.0230      0.0007                                   
                                   37      H             0.0346      0.0207      0.0040                                   
                                   38      H             0.0223      0.0214     -0.0061                                   
                                   39      H             0.0145     -0.0075     -0.0392                                   
                                   40      H            -0.0264     -0.0067     -0.0395                                   
                                   41      H            -0.0217     -0.0109     -0.0311                                   
                                   42      H            -0.0137     -0.0250      0.0120                                   
                                   43      H            -0.1109      0.0609      0.0487                                   
                                   44      H            -0.1334     -0.0660      0.0469                                   
                                   45      H             0.0214      0.0340      0.0036                                   
                                   46      H            -0.0793      0.0323     -0.0103                                   
                                   47      H            -0.0103     -0.0016     -0.0025                                   
                                   48      H             0.0475     -0.0267     -0.0413                                   
                                   49      H            -0.0071      0.0131     -0.0047                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      101                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1376.68  cm**-1                                     
                                   Reduced mass:                       1.3535  amu                                        
                                   Force constant:                     1.5114  mdyne/A                                    
                                   IR intensity:                       0.9989  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0019     -0.0006     -0.0016                                   
                                   2       O             0.0007      0.0010      0.0010                                   
                                   3       O            -0.0059     -0.0019     -0.0007                                   
                                   4       C            -0.0039      0.0052      0.0571                                   
                                   5       C            -0.0848     -0.0114     -0.0145                                   
                                   6       C             0.0092      0.0101      0.0342                                   
                                   7       C             0.0182     -0.0123     -0.0282                                   
                                   8       C             0.0299     -0.0060     -0.0141                                   
                                   9       C             0.0262      0.0109     -0.0775                                   
                                   10      C            -0.0237     -0.0019     -0.0079                                   
                                   11      C            -0.0224      0.0027     -0.0081                                   
                                   12      C            -0.0036     -0.0048      0.0184                                   
                                   13      C             0.0401      0.0369     -0.0364                                   
                                   14      C            -0.0069     -0.0173      0.0059                                   
                                   15      C             0.0240      0.0102      0.0018                                   
                                   16      C            -0.0120     -0.0054      0.0008                                   
                                   17      C             0.0005      0.0000      0.0010                                   
                                   18      C            -0.0117     -0.0187      0.0145                                   
                                   19      C             0.0086     -0.0226      0.0106                                   
                                   20      C            -0.0129      0.0132     -0.0053                                   
                                   21      C             0.0179      0.0137     -0.0002                                   
                                   22      C            -0.0193      0.0033     -0.0050                                   
                                   23      C             0.0106      0.0059      0.0007                                   
                                   24      H             0.7857      0.0977      0.0976                                   
                                   25      H            -0.1212     -0.1074     -0.0746                                   
                                   26      H            -0.0559      0.0602      0.0189                                   
                                   27      H            -0.0696      0.0346      0.0335                                   
                                   28      H            -0.1642      0.0590      0.0187                                   
                                   29      H            -0.1000      0.0041      0.0588                                   
                                   30      H             0.1470     -0.0750      0.0197                                   
                                   31      H             0.0245     -0.0172      0.0044                                   
                                   32      H             0.0486     -0.0896     -0.0407                                   
                                   33      H            -0.0796      0.0303      0.1017                                   
                                   34      H            -0.1500     -0.1657      0.1135                                   
                                   35      H            -0.1005     -0.1026      0.0882                                   
                                   36      H            -0.0903      0.1652     -0.0016                                   
                                   37      H            -0.0904     -0.0382     -0.0096                                   
                                   38      H            -0.0324     -0.0202     -0.0181                                   
                                   39      H            -0.0216      0.0127      0.0584                                   
                                   40      H             0.0521      0.0161      0.0822                                   
                                   41      H             0.0446      0.0368      0.0993                                   
                                   42      H             0.0334     -0.0295      0.0015                                   
                                   43      H            -0.0107      0.0070      0.0080                                   
                                   44      H             0.0735      0.0273     -0.0306                                   
                                   45      H             0.0201      0.0301      0.0038                                   
                                   46      H             0.0767     -0.0392      0.0045                                   
                                   47      H             0.0110      0.0022      0.0023                                   
                                   48      H             0.0072     -0.0038     -0.0041                                   
                                   49      H             0.0054     -0.0114      0.0040                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      102                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1403.85  cm**-1                                     
                                   Reduced mass:                       1.2301  amu                                        
                                   Force constant:                     1.4283  mdyne/A                                    
                                   IR intensity:                       5.9172  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001     -0.0007     -0.0004                                   
                                   2       O            -0.0000      0.0003     -0.0001                                   
                                   3       O             0.0030      0.0014      0.0003                                   
                                   4       C             0.0058     -0.0012      0.0071                                   
                                   5       C            -0.0185     -0.0002      0.0020                                   
                                   6       C            -0.0024     -0.0034     -0.0067                                   
                                   7       C            -0.0052      0.0046      0.0008                                   
                                   8       C            -0.0007     -0.0008     -0.0042                                   
                                   9       C             0.0006      0.0013     -0.0238                                   
                                   10      C             0.0002      0.0020      0.0030                                   
                                   11      C            -0.0012      0.0008     -0.0021                                   
                                   12      C             0.0051     -0.0072      0.0079                                   
                                   13      C            -0.0045     -0.0022      0.0019                                   
                                   14      C             0.0097     -0.0078      0.0051                                   
                                   15      C            -0.0088      0.0061     -0.0072                                   
                                   16      C            -0.0009      0.0183      0.1322                                   
                                   17      C             0.0008     -0.0016      0.0001                                   
                                   18      C             0.0018      0.0050      0.0002                                   
                                   19      C            -0.0063      0.0122     -0.0025                                   
                                   20      C             0.0069     -0.0056      0.0031                                   
                                   21      C            -0.0081     -0.0059      0.0003                                   
                                   22      C             0.0129      0.0005      0.0026                                   
                                   23      C            -0.0083     -0.0059     -0.0003                                   
                                   24      H             0.1792      0.0076      0.0248                                   
                                   25      H             0.0094      0.0078      0.0028                                   
                                   26      H             0.0434     -0.0415     -0.0283                                   
                                   27      H             0.0227     -0.0051      0.0144                                   
                                   28      H            -0.0097      0.0205      0.0120                                   
                                   29      H             0.0008     -0.0086      0.0265                                   
                                   30      H             0.0072      0.0041      0.0001                                   
                                   31      H             0.0029      0.0035      0.0104                                   
                                   32      H             0.0024      0.0596      0.0211                                   
                                   33      H            -0.0233      0.0283     -0.0382                                   
                                   34      H             0.0428      0.0346     -0.0313                                   
                                   35      H             0.0034      0.0045     -0.0048                                   
                                   36      H            -0.0512      0.0554      0.0018                                   
                                   37      H             0.0616     -0.0430      0.0042                                   
                                   38      H             0.0220     -0.0096      0.0863                                   
                                   39      H             0.1537     -0.0742     -0.5283                                   
                                   40      H            -0.1379      0.1046     -0.5482                                   
                                   41      H            -0.0467     -0.2875     -0.4286                                   
                                   42      H            -0.0056      0.0102     -0.0026                                   
                                   43      H            -0.0064      0.0023     -0.0032                                   
                                   44      H            -0.0321     -0.0171      0.0053                                   
                                   45      H             0.0027      0.0052      0.0001                                   
                                   46      H            -0.0254      0.0078     -0.0094                                   
                                   47      H            -0.0073      0.0016     -0.0020                                   
                                   48      H             0.0019     -0.0011     -0.0013                                   
                                   49      H            -0.0041      0.0097     -0.0035                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      103                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1446.48  cm**-1                                     
                                   Reduced mass:                       7.1724  amu                                        
                                   Force constant:                     8.8418  mdyne/A                                    
                                   IR intensity:                       7.5164  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000     -0.0001     -0.0000                                   
                                   2       O             0.0002     -0.0002     -0.0002                                   
                                   3       O             0.0586     -0.0358      0.0242                                   
                                   4       C            -0.0002      0.0013      0.0017                                   
                                   5       C             0.0106     -0.0010      0.0009                                   
                                   6       C             0.0005      0.0017      0.0002                                   
                                   7       C             0.0004     -0.0006     -0.0004                                   
                                   8       C             0.0003     -0.0004      0.0000                                   
                                   9       C            -0.0366     -0.0244      0.0074                                   
                                   10      C            -0.0002     -0.0001      0.0002                                   
                                   11      C            -0.0009      0.0057      0.0000                                   
                                   12      C            -0.0049      0.0057      0.0046                                   
                                   13      C            -0.0022     -0.0064     -0.0001                                   
                                   14      C            -0.0831      0.0263     -0.0306                                   
                                   15      C             0.0221      0.0038      0.0011                                   
                                   16      C             0.0074      0.0141      0.0105                                   
                                   17      C             0.0001      0.0007     -0.0008                                   
                                   18      C             0.1105      0.0683     -0.0327                                   
                                   19      C             0.2324     -0.2214      0.1135                                   
                                   20      C             0.0751     -0.1972      0.0848                                   
                                   21      C            -0.2536      0.3722     -0.1498                                   
                                   22      C            -0.3005      0.0007     -0.0656                                   
                                   23      C             0.1788      0.0582      0.0243                                   
                                   24      H            -0.0138     -0.0015     -0.0023                                   
                                   25      H            -0.0013     -0.0037     -0.0015                                   
                                   26      H            -0.0007      0.0028     -0.0004                                   
                                   27      H            -0.0032      0.0014      0.0011                                   
                                   28      H            -0.0009     -0.0022     -0.0017                                   
                                   29      H            -0.0026      0.0013     -0.0038                                   
                                   30      H            -0.0064     -0.0368     -0.0010                                   
                                   31      H             0.0121     -0.0157     -0.0325                                   
                                   32      H             0.0101     -0.0093     -0.0095                                   
                                   33      H             0.0539     -0.0273     -0.0410                                   
                                   34      H             0.0031      0.0163     -0.0062                                   
                                   35      H             0.0125      0.0109      0.0015                                   
                                   36      H            -0.1401     -0.1105     -0.0113                                   
                                   37      H            -0.0331      0.0099     -0.0051                                   
                                   38      H            -0.0560     -0.0406     -0.0139                                   
                                   39      H             0.0301     -0.0826     -0.0361                                   
                                   40      H            -0.0870     -0.0388     -0.0535                                   
                                   41      H            -0.0039     -0.0147     -0.0314                                   
                                   42      H            -0.0046     -0.0071      0.0044                                   
                                   43      H             0.0016      0.0008      0.0079                                   
                                   44      H            -0.3504     -0.2212      0.1337                                   
                                   45      H             0.0000      0.0004     -0.0001                                   
                                   46      H            -0.2562     -0.0412     -0.0329                                   
                                   47      H             0.2759     -0.0195      0.0730                                   
                                   48      H            -0.0009      0.0006      0.0004                                   
                                   49      H             0.1532     -0.0785      0.0494                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      104                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1459.28  cm**-1                                     
                                   Reduced mass:                       1.0833  amu                                        
                                   Force constant:                     1.3591  mdyne/A                                    
                                   IR intensity:                       0.9732  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0002      0.0006     -0.0008                                   
                                   2       O            -0.0049      0.0015      0.0094                                   
                                   3       O             0.0001     -0.0002      0.0001                                   
                                   4       C            -0.0016      0.0009      0.0028                                   
                                   5       C            -0.0001     -0.0018     -0.0016                                   
                                   6       C             0.0005     -0.0022      0.0005                                   
                                   7       C            -0.0003      0.0036     -0.0077                                   
                                   8       C             0.0030      0.0006      0.0031                                   
                                   9       C            -0.0008     -0.0004      0.0005                                   
                                   10      C            -0.0016      0.0010      0.0066                                   
                                   11      C            -0.0002     -0.0004     -0.0010                                   
                                   12      C            -0.0030      0.0036      0.0008                                   
                                   13      C            -0.0048      0.0184      0.0208                                   
                                   14      C            -0.0007      0.0002     -0.0003                                   
                                   15      C            -0.0006      0.0009     -0.0010                                   
                                   16      C            -0.0030     -0.0037     -0.0003                                   
                                   17      C            -0.0152     -0.0387      0.0628                                   
                                   18      C             0.0002      0.0003     -0.0001                                   
                                   19      C             0.0005     -0.0006      0.0002                                   
                                   20      C             0.0005     -0.0007      0.0003                                   
                                   21      C            -0.0008      0.0014     -0.0006                                   
                                   22      C            -0.0013     -0.0006     -0.0002                                   
                                   23      C             0.0011      0.0008      0.0000                                   
                                   24      H            -0.0003      0.0103     -0.0009                                   
                                   25      H            -0.0060      0.0092     -0.0032                                   
                                   26      H            -0.0138     -0.0464      0.0262                                   
                                   27      H             0.0263      0.0006      0.0538                                   
                                   28      H            -0.0246     -0.0305     -0.0230                                   
                                   29      H             0.0039      0.0116     -0.0409                                   
                                   30      H             0.0049      0.0041      0.0002                                   
                                   31      H             0.0026      0.0014      0.0074                                   
                                   32      H             0.0340     -0.0126     -0.0260                                   
                                   33      H             0.0047     -0.0009     -0.0026                                   
                                   34      H             0.1221     -0.1741     -0.0355                                   
                                   35      H            -0.0494     -0.0636     -0.1895                                   
                                   36      H             0.0012     -0.0011     -0.0001                                   
                                   37      H             0.0068     -0.0103      0.0003                                   
                                   38      H             0.0012     -0.0035      0.0128                                   
                                   39      H            -0.0127      0.0367      0.0182                                   
                                   40      H             0.0415      0.0286      0.0003                                   
                                   41      H             0.0130     -0.0156     -0.0142                                   
                                   42      H             0.3406      0.5027     -0.3192                                   
                                   43      H            -0.0875     -0.0715     -0.6345                                   
                                   44      H            -0.0008     -0.0004      0.0000                                   
                                   45      H             0.0014      0.0042     -0.0002                                   
                                   46      H            -0.0007     -0.0001     -0.0002                                   
                                   47      H             0.0005     -0.0007      0.0005                                   
                                   48      H            -0.0021     -0.0008      0.0123                                   
                                   49      H             0.0007     -0.0013      0.0005                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      105                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1467.69  cm**-1                                     
                                   Reduced mass:                       1.0956  amu                                        
                                   Force constant:                     1.3906  mdyne/A                                    
                                   IR intensity:                       1.2247  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0006      0.0015      0.0002                                   
                                   2       O            -0.0005      0.0007      0.0009                                   
                                   3       O             0.0000     -0.0003      0.0001                                   
                                   4       C             0.0001     -0.0071     -0.0013                                   
                                   5       C             0.0028      0.0039      0.0011                                   
                                   6       C            -0.0069     -0.0012      0.0025                                   
                                   7       C             0.0235     -0.0387      0.0543                                   
                                   8       C             0.0041      0.0147      0.0425                                   
                                   9       C            -0.0082      0.0009     -0.0007                                   
                                   10      C             0.0017     -0.0007     -0.0004                                   
                                   11      C             0.0030      0.0023      0.0014                                   
                                   12      C             0.0002      0.0059     -0.0050                                   
                                   13      C             0.0055     -0.0012     -0.0095                                   
                                   14      C             0.0030     -0.0003      0.0014                                   
                                   15      C            -0.0049      0.0018     -0.0032                                   
                                   16      C            -0.0202      0.0044      0.0030                                   
                                   17      C            -0.0012     -0.0024      0.0037                                   
                                   18      C            -0.0006     -0.0001     -0.0001                                   
                                   19      C            -0.0021      0.0008     -0.0009                                   
                                   20      C             0.0013      0.0003     -0.0002                                   
                                   21      C             0.0002     -0.0004      0.0001                                   
                                   22      C            -0.0014     -0.0024      0.0002                                   
                                   23      C             0.0025      0.0025     -0.0001                                   
                                   24      H             0.0141     -0.0145      0.0026                                   
                                   25      H             0.0064     -0.0100      0.0136                                   
                                   26      H             0.0752      0.4682     -0.2013                                   
                                   27      H            -0.3188      0.0364     -0.4493                                   
                                   28      H            -0.0842     -0.2997     -0.2079                                   
                                   29      H             0.0124      0.1054     -0.3512                                   
                                   30      H            -0.0269     -0.0040     -0.0035                                   
                                   31      H            -0.0076      0.0033     -0.0109                                   
                                   32      H            -0.0418     -0.0591      0.0155                                   
                                   33      H             0.0332     -0.0387      0.0692                                   
                                   34      H            -0.0434      0.0464      0.0177                                   
                                   35      H             0.0067      0.0121      0.0769                                   
                                   36      H            -0.0065     -0.0040      0.0015                                   
                                   37      H             0.0456     -0.0140      0.0037                                   
                                   38      H             0.0086     -0.0058      0.0387                                   
                                   39      H            -0.0219     -0.0651      0.1235                                   
                                   40      H             0.0977      0.1168     -0.1258                                   
                                   41      H             0.2078     -0.1070     -0.0393                                   
                                   42      H             0.0251      0.0245     -0.0184                                   
                                   43      H            -0.0090     -0.0028     -0.0350                                   
                                   44      H            -0.0037     -0.0005      0.0022                                   
                                   45      H            -0.0023     -0.0086      0.0016                                   
                                   46      H             0.0007      0.0006     -0.0005                                   
                                   47      H            -0.0008     -0.0028      0.0007                                   
                                   48      H             0.0025     -0.0017     -0.0022                                   
                                   49      H             0.0012     -0.0032      0.0010                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      106                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1475.44  cm**-1                                     
                                   Reduced mass:                       1.0937  amu                                        
                                   Force constant:                     1.4028  mdyne/A                                    
                                   IR intensity:                       2.7590  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000     -0.0008      0.0008                                   
                                   2       O            -0.0003     -0.0001      0.0001                                   
                                   3       O             0.0003      0.0012     -0.0003                                   
                                   4       C            -0.0041      0.0113      0.0091                                   
                                   5       C            -0.0060     -0.0047     -0.0005                                   
                                   6       C             0.0008     -0.0047     -0.0047                                   
                                   7       C            -0.0108      0.0205     -0.0317                                   
                                   8       C             0.0096      0.0163      0.0602                                   
                                   9       C             0.0091      0.0010     -0.0035                                   
                                   10      C             0.0043      0.0057      0.0024                                   
                                   11      C            -0.0026     -0.0041     -0.0046                                   
                                   12      C             0.0037      0.0242     -0.0183                                   
                                   13      C            -0.0022     -0.0044     -0.0040                                   
                                   14      C            -0.0043      0.0009     -0.0014                                   
                                   15      C             0.0029     -0.0034      0.0030                                   
                                   16      C             0.0204     -0.0025      0.0057                                   
                                   17      C            -0.0005      0.0017     -0.0029                                   
                                   18      C             0.0001     -0.0016      0.0009                                   
                                   19      C             0.0063     -0.0029      0.0027                                   
                                   20      C            -0.0015      0.0008     -0.0002                                   
                                   21      C            -0.0005     -0.0009      0.0002                                   
                                   22      C             0.0037      0.0074     -0.0009                                   
                                   23      C            -0.0073     -0.0074      0.0002                                   
                                   24      H             0.0543      0.0215      0.0082                                   
                                   25      H             0.0071      0.0193     -0.0003                                   
                                   26      H            -0.0365     -0.2568      0.1043                                   
                                   27      H             0.1650     -0.0130      0.2565                                   
                                   28      H            -0.1278     -0.4144     -0.2874                                   
                                   29      H            -0.0023      0.1561     -0.5069                                   
                                   30      H             0.0280      0.0253      0.0012                                   
                                   31      H             0.0282     -0.0016      0.0413                                   
                                   32      H            -0.1315     -0.2098      0.0378                                   
                                   33      H             0.0924     -0.1086      0.2139                                   
                                   34      H            -0.0175      0.0669     -0.0037                                   
                                   35      H             0.0221      0.0313      0.0532                                   
                                   36      H            -0.0018      0.0041     -0.0015                                   
                                   37      H            -0.0289      0.0143     -0.0018                                   
                                   38      H            -0.0049      0.0041     -0.0287                                   
                                   39      H             0.0338      0.0503     -0.1597                                   
                                   40      H            -0.1183     -0.1145      0.0803                                   
                                   41      H            -0.2179      0.0922      0.0134                                   
                                   42      H            -0.0097     -0.0222      0.0122                                   
                                   43      H             0.0187     -0.0058      0.0276                                   
                                   44      H             0.0075      0.0034     -0.0005                                   
                                   45      H            -0.0067     -0.0019     -0.0027                                   
                                   46      H             0.0010     -0.0011     -0.0002                                   
                                   47      H             0.0007      0.0085     -0.0022                                   
                                   48      H            -0.0006     -0.0001     -0.0004                                   
                                   49      H            -0.0029      0.0111     -0.0034                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      107                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1477.90  cm**-1                                     
                                   Reduced mass:                       5.5742  amu                                        
                                   Force constant:                     7.1733  mdyne/A                                    
                                   IR intensity:                      19.6892  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001      0.0001     -0.0003                                   
                                   2       O            -0.0004      0.0002      0.0006                                   
                                   3       O             0.0207      0.0546     -0.0095                                   
                                   4       C             0.0007      0.0005      0.0001                                   
                                   5       C             0.0047     -0.0043      0.0004                                   
                                   6       C            -0.0014     -0.0006     -0.0005                                   
                                   7       C             0.0046     -0.0078      0.0123                                   
                                   8       C            -0.0013     -0.0026     -0.0083                                   
                                   9       C            -0.0024     -0.0056     -0.0009                                   
                                   10      C            -0.0005     -0.0004      0.0008                                   
                                   11      C             0.0036      0.0093      0.0046                                   
                                   12      C            -0.0012     -0.0026      0.0026                                   
                                   13      C             0.0024     -0.0040     -0.0045                                   
                                   14      C            -0.1282      0.0063     -0.0297                                   
                                   15      C             0.0307     -0.0124      0.0186                                   
                                   16      C             0.0056      0.0098      0.0021                                   
                                   17      C            -0.0007     -0.0031      0.0046                                   
                                   18      C             0.0179      0.0005     -0.0020                                   
                                   19      C             0.3024     -0.1210      0.1046                                   
                                   20      C            -0.0142      0.0301     -0.0086                                   
                                   21      C            -0.0341     -0.0731      0.0128                                   
                                   22      C             0.1032      0.3034     -0.0513                                   
                                   23      C            -0.2776     -0.2881      0.0102                                   
                                   24      H            -0.0074      0.0019      0.0001                                   
                                   25      H             0.0004     -0.0038      0.0009                                   
                                   26      H             0.0263      0.0974     -0.0517                                   
                                   27      H            -0.0703      0.0091     -0.0955                                   
                                   28      H             0.0156      0.0550      0.0383                                   
                                   29      H             0.0004     -0.0208      0.0660                                   
                                   30      H            -0.0418     -0.0778     -0.0020                                   
                                   31      H             0.0066     -0.0286     -0.0798                                   
                                   32      H             0.0190      0.0247     -0.0066                                   
                                   33      H            -0.0146      0.0149     -0.0222                                   
                                   34      H            -0.0270      0.0396      0.0094                                   
                                   35      H             0.0140      0.0161      0.0506                                   
                                   36      H            -0.0526     -0.0305     -0.0097                                   
                                   37      H            -0.1423      0.2023     -0.0096                                   
                                   38      H            -0.0663      0.0242     -0.2293                                   
                                   39      H             0.0258     -0.0840     -0.0333                                   
                                   40      H            -0.0922     -0.0614     -0.0028                                   
                                   41      H            -0.0215      0.0232      0.0181                                   
                                   42      H             0.0225      0.0384     -0.0234                                   
                                   43      H            -0.0095     -0.0038     -0.0491                                   
                                   44      H             0.0273      0.0087     -0.0069                                   
                                   45      H             0.0025      0.0015      0.0010                                   
                                   46      H            -0.0533      0.0451     -0.0175                                   
                                   47      H             0.0417      0.3423     -0.0736                                   
                                   48      H             0.0003     -0.0004      0.0009                                   
                                   49      H            -0.0933      0.4694     -0.1333                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      108                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1484.78  cm**-1                                     
                                   Reduced mass:                       1.1078  amu                                        
                                   Force constant:                     1.4390  mdyne/A                                    
                                   IR intensity:                       0.8138  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0002      0.0001      0.0007                                   
                                   2       O             0.0010     -0.0001     -0.0017                                   
                                   3       O             0.0024      0.0039     -0.0004                                   
                                   4       C            -0.0023     -0.0004     -0.0010                                   
                                   5       C             0.0058     -0.0012      0.0006                                   
                                   6       C             0.0021      0.0023      0.0033                                   
                                   7       C            -0.0056      0.0092     -0.0156                                   
                                   8       C             0.0015      0.0026      0.0093                                   
                                   9       C            -0.0087     -0.0097     -0.0003                                   
                                   10      C             0.0003      0.0000     -0.0033                                   
                                   11      C            -0.0051     -0.0112     -0.0118                                   
                                   12      C            -0.0009      0.0028     -0.0008                                   
                                   13      C            -0.0065      0.0195      0.0194                                   
                                   14      C            -0.0167      0.0038     -0.0038                                   
                                   15      C            -0.0151      0.0312     -0.0312                                   
                                   16      C            -0.0306     -0.0333     -0.0005                                   
                                   17      C             0.0025      0.0078     -0.0124                                   
                                   18      C             0.0013      0.0027     -0.0005                                   
                                   19      C             0.0296     -0.0124      0.0098                                   
                                   20      C             0.0027     -0.0000      0.0004                                   
                                   21      C            -0.0061     -0.0010     -0.0010                                   
                                   22      C             0.0036      0.0225     -0.0050                                   
                                   23      C            -0.0186     -0.0205      0.0009                                   
                                   24      H            -0.0055     -0.0025     -0.0014                                   
                                   25      H            -0.0019      0.0049      0.0005                                   
                                   26      H            -0.0328     -0.1224      0.0657                                   
                                   27      H             0.0885     -0.0126      0.1180                                   
                                   28      H            -0.0145     -0.0588     -0.0403                                   
                                   29      H            -0.0039      0.0226     -0.0696                                   
                                   30      H             0.0732      0.1366      0.0009                                   
                                   31      H             0.0005      0.0518      0.1461                                   
                                   32      H            -0.0160      0.0092      0.0112                                   
                                   33      H             0.0028      0.0003     -0.0031                                   
                                   34      H             0.1202     -0.1907     -0.0370                                   
                                   35      H            -0.0658     -0.0800     -0.2276                                   
                                   36      H            -0.0040     -0.0108     -0.0022                                   
                                   37      H             0.1978     -0.3101      0.0087                                   
                                   38      H             0.0269     -0.1025      0.3654                                   
                                   39      H            -0.1144      0.3200      0.1736                                   
                                   40      H             0.4071      0.2882     -0.0165                                   
                                   41      H             0.1418     -0.1504     -0.1301                                   
                                   42      H            -0.0626     -0.1033      0.0639                                   
                                   43      H             0.0203      0.0135      0.1366                                   
                                   44      H            -0.0026      0.0009      0.0002                                   
                                   45      H            -0.0041     -0.0037     -0.0013                                   
                                   46      H            -0.0080      0.0046     -0.0048                                   
                                   47      H            -0.0001      0.0259     -0.0038                                   
                                   48      H             0.0017     -0.0003     -0.0038                                   
                                   49      H            -0.0054      0.0335     -0.0089                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      109                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1493.83  cm**-1                                     
                                   Reduced mass:                       1.0875  amu                                        
                                   Force constant:                     1.4298  mdyne/A                                    
                                   IR intensity:                       1.2702  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0003     -0.0002      0.0004                                   
                                   2       O             0.0007      0.0005     -0.0009                                   
                                   3       O            -0.0004     -0.0008      0.0001                                   
                                   4       C             0.0051      0.0090      0.0077                                   
                                   5       C            -0.0008     -0.0074      0.0005                                   
                                   6       C            -0.0009     -0.0008      0.0020                                   
                                   7       C            -0.0006      0.0041     -0.0127                                   
                                   8       C            -0.0009      0.0024      0.0112                                   
                                   9       C            -0.0047     -0.0016     -0.0005                                   
                                   10      C             0.0005      0.0019     -0.0012                                   
                                   11      C             0.0221      0.0519      0.0416                                   
                                   12      C             0.0008     -0.0080      0.0051                                   
                                   13      C            -0.0048      0.0153      0.0168                                   
                                   14      C             0.0025     -0.0052      0.0021                                   
                                   15      C             0.0053     -0.0127      0.0184                                   
                                   16      C            -0.0127     -0.0114      0.0049                                   
                                   17      C             0.0018      0.0034     -0.0073                                   
                                   18      C            -0.0015      0.0008      0.0003                                   
                                   19      C            -0.0058      0.0041     -0.0038                                   
                                   20      C             0.0024     -0.0004      0.0001                                   
                                   21      C             0.0004     -0.0004      0.0001                                   
                                   22      C            -0.0017     -0.0060      0.0011                                   
                                   23      C             0.0050      0.0052     -0.0001                                   
                                   24      H             0.0105      0.0325      0.0050                                   
                                   25      H            -0.0022      0.0094      0.0017                                   
                                   26      H            -0.0081     -0.0725      0.0269                                   
                                   27      H             0.0199      0.0116      0.0924                                   
                                   28      H            -0.0265     -0.0852     -0.0590                                   
                                   29      H             0.0117      0.0288     -0.1064                                   
                                   30      H            -0.2877     -0.5180     -0.0078                                   
                                   31      H             0.0151     -0.1902     -0.5544                                   
                                   32      H             0.0301      0.0996      0.0034                                   
                                   33      H            -0.0443      0.0504     -0.0787                                   
                                   34      H             0.1077     -0.1509     -0.0350                                   
                                   35      H            -0.0544     -0.0678     -0.1837                                   
                                   36      H             0.0282      0.0217      0.0023                                   
                                   37      H            -0.0850      0.1651     -0.0004                                   
                                   38      H            -0.0097      0.0598     -0.1801                                   
                                   39      H            -0.0384      0.1131      0.0534                                   
                                   40      H             0.1535      0.1186     -0.0341                                   
                                   41      H             0.0663     -0.0825     -0.0807                                   
                                   42      H            -0.0376     -0.0593      0.0373                                   
                                   43      H             0.0034      0.0122      0.0846                                   
                                   44      H            -0.0026     -0.0002     -0.0007                                   
                                   45      H            -0.0024     -0.0007     -0.0010                                   
                                   46      H            -0.0004      0.0011     -0.0013                                   
                                   47      H             0.0016     -0.0071      0.0014                                   
                                   48      H             0.0038     -0.0017     -0.0046                                   
                                   49      H             0.0017     -0.0086      0.0025                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      110                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1496.95  cm**-1                                     
                                   Reduced mass:                       1.0869  amu                                        
                                   Force constant:                     1.4350  mdyne/A                                    
                                   IR intensity:                       0.6510  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0004     -0.0002     -0.0002                                   
                                   2       O            -0.0014     -0.0018      0.0012                                   
                                   3       O            -0.0002      0.0004     -0.0001                                   
                                   4       C             0.0030     -0.0045     -0.0002                                   
                                   5       C            -0.0004      0.0049     -0.0029                                   
                                   6       C            -0.0012     -0.0049     -0.0023                                   
                                   7       C             0.0020     -0.0023      0.0072                                   
                                   8       C            -0.0044     -0.0070     -0.0236                                   
                                   9       C             0.0046     -0.0031      0.0043                                   
                                   10      C             0.0008      0.0014      0.0003                                   
                                   11      C             0.0102      0.0272      0.0202                                   
                                   12      C             0.0010      0.0425     -0.0314                                   
                                   13      C             0.0064     -0.0151     -0.0201                                   
                                   14      C            -0.0075     -0.0008     -0.0010                                   
                                   15      C            -0.0103      0.0237     -0.0192                                   
                                   16      C             0.0062     -0.0183      0.0054                                   
                                   17      C            -0.0025     -0.0015      0.0076                                   
                                   18      C            -0.0005      0.0001      0.0001                                   
                                   19      C             0.0024     -0.0016      0.0001                                   
                                   20      C             0.0006     -0.0009      0.0005                                   
                                   21      C             0.0002      0.0026     -0.0006                                   
                                   22      C             0.0025      0.0019     -0.0000                                   
                                   23      C            -0.0028     -0.0026      0.0001                                   
                                   24      H            -0.0427      0.0084     -0.0093                                   
                                   25      H             0.0030      0.0034      0.0005                                   
                                   26      H             0.0175      0.0497     -0.0329                                   
                                   27      H            -0.0416      0.0082     -0.0502                                   
                                   28      H             0.0440      0.1752      0.1206                                   
                                   29      H             0.0104     -0.0621      0.1967                                   
                                   30      H            -0.1319     -0.2381     -0.0030                                   
                                   31      H            -0.0102     -0.0766     -0.2598                                   
                                   32      H            -0.1762     -0.4154      0.0144                                   
                                   33      H             0.1770     -0.2045      0.3624                                   
                                   34      H            -0.1359      0.1815      0.0453                                   
                                   35      H             0.0629      0.0832      0.2173                                   
                                   36      H             0.0264      0.0042     -0.0005                                   
                                   37      H             0.1274     -0.2151      0.0075                                   
                                   38      H             0.0206     -0.0610      0.2415                                   
                                   39      H            -0.0209      0.1993     -0.0732                                   
                                   40      H             0.0780      0.0320      0.0517                                   
                                   41      H            -0.1529      0.0134     -0.0609                                   
                                   42      H             0.0411      0.0588     -0.0382                                   
                                   43      H             0.0263     -0.0280     -0.0934                                   
                                   44      H             0.0012      0.0034      0.0025                                   
                                   45      H             0.0018      0.0010      0.0005                                   
                                   46      H             0.0001     -0.0008     -0.0006                                   
                                   47      H            -0.0048      0.0028     -0.0006                                   
                                   48      H            -0.0100      0.0047      0.0101                                   
                                   49      H            -0.0017      0.0025     -0.0009                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      111                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1502.41  cm**-1                                     
                                   Reduced mass:                       1.0932  amu                                        
                                   Force constant:                     1.4538  mdyne/A                                    
                                   IR intensity:                       0.2371  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001      0.0001      0.0002                                   
                                   2       O            -0.0002     -0.0014     -0.0005                                   
                                   3       O             0.0001     -0.0013      0.0003                                   
                                   4       C            -0.0014     -0.0014     -0.0015                                   
                                   5       C             0.0038      0.0036     -0.0015                                   
                                   6       C            -0.0006     -0.0013     -0.0001                                   
                                   7       C            -0.0004     -0.0010      0.0063                                   
                                   8       C            -0.0007     -0.0040     -0.0118                                   
                                   9       C            -0.0060     -0.0035      0.0047                                   
                                   10      C             0.0003      0.0005     -0.0027                                   
                                   11      C            -0.0074     -0.0214     -0.0147                                   
                                   12      C             0.0005      0.0344     -0.0236                                   
                                   13      C            -0.0039      0.0152      0.0116                                   
                                   14      C             0.0090      0.0017      0.0014                                   
                                   15      C             0.0191     -0.0414      0.0359                                   
                                   16      C            -0.0126     -0.0195      0.0152                                   
                                   17      C             0.0002      0.0051     -0.0045                                   
                                   18      C            -0.0020      0.0002      0.0002                                   
                                   19      C            -0.0033      0.0046     -0.0015                                   
                                   20      C             0.0036     -0.0000     -0.0000                                   
                                   21      C            -0.0025     -0.0021     -0.0000                                   
                                   22      C            -0.0074     -0.0070      0.0002                                   
                                   23      C             0.0089      0.0077      0.0000                                   
                                   24      H            -0.0356     -0.0038     -0.0078                                   
                                   25      H             0.0037      0.0052      0.0044                                   
                                   26      H             0.0300      0.0167     -0.0306                                   
                                   27      H            -0.0096     -0.0043     -0.0384                                   
                                   28      H             0.0237      0.0952      0.0660                                   
                                   29      H            -0.0078     -0.0302      0.1061                                   
                                   30      H             0.0988      0.1785      0.0028                                   
                                   31      H            -0.0006      0.0589      0.1946                                   
                                   32      H            -0.1507     -0.3045      0.0259                                   
                                   33      H             0.1359     -0.1539      0.2762                                   
                                   34      H             0.0849     -0.1118     -0.0305                                   
                                   35      H            -0.0418     -0.0472     -0.1390                                   
                                   36      H            -0.0166     -0.0166      0.0019                                   
                                   37      H            -0.2356      0.4083     -0.0135                                   
                                   38      H            -0.0376      0.1174     -0.4442                                   
                                   39      H            -0.0464      0.2052      0.0099                                   
                                   40      H             0.2046      0.1627     -0.0655                                   
                                   41      H             0.0188     -0.1197     -0.1617                                   
                                   42      H            -0.0212     -0.0380      0.0234                                   
                                   43      H             0.0365     -0.0098      0.0443                                   
                                   44      H            -0.0021      0.0029      0.0032                                   
                                   45      H            -0.0006     -0.0020      0.0001                                   
                                   46      H            -0.0011      0.0022     -0.0017                                   
                                   47      H             0.0107     -0.0088      0.0027                                   
                                   48      H            -0.0054      0.0031      0.0046                                   
                                   49      H             0.0046     -0.0107      0.0037                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      112                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1512.90  cm**-1                                     
                                   Reduced mass:                       1.0754  amu                                        
                                   Force constant:                     1.4503  mdyne/A                                    
                                   IR intensity:                       2.7467  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000      0.0001     -0.0005                                   
                                   2       O            -0.0001      0.0011      0.0008                                   
                                   3       O             0.0003     -0.0009      0.0003                                   
                                   4       C             0.0024     -0.0005      0.0004                                   
                                   5       C            -0.0007      0.0009      0.0013                                   
                                   6       C            -0.0011     -0.0001     -0.0030                                   
                                   7       C             0.0004     -0.0021      0.0107                                   
                                   8       C             0.0002      0.0021      0.0050                                   
                                   9       C             0.0027     -0.0142     -0.0008                                   
                                   10      C            -0.0006     -0.0005      0.0036                                   
                                   11      C            -0.0025     -0.0047     -0.0030                                   
                                   12      C            -0.0014     -0.0308      0.0191                                   
                                   13      C             0.0091     -0.0254     -0.0255                                   
                                   14      C            -0.0014      0.0036     -0.0002                                   
                                   15      C             0.0054     -0.0095      0.0081                                   
                                   16      C             0.0111     -0.0483      0.0102                                   
                                   17      C            -0.0007     -0.0064      0.0069                                   
                                   18      C            -0.0012      0.0028      0.0003                                   
                                   19      C             0.0029      0.0025      0.0000                                   
                                   20      C             0.0035     -0.0018      0.0010                                   
                                   21      C            -0.0040      0.0005     -0.0010                                   
                                   22      C            -0.0058     -0.0038     -0.0003                                   
                                   23      C             0.0055      0.0044      0.0001                                   
                                   24      H             0.0176     -0.0061      0.0043                                   
                                   25      H             0.0021     -0.0121     -0.0021                                   
                                   26      H             0.0438      0.0407     -0.0545                                   
                                   27      H            -0.0280      0.0003     -0.0569                                   
                                   28      H            -0.0082     -0.0463     -0.0317                                   
                                   29      H             0.0006      0.0135     -0.0468                                   
                                   30      H             0.0267      0.0419      0.0015                                   
                                   31      H             0.0015      0.0131      0.0468                                   
                                   32      H             0.1352      0.2584     -0.0286                                   
                                   33      H            -0.1172      0.1303     -0.2439                                   
                                   34      H            -0.1962      0.2142      0.0769                                   
                                   35      H             0.0801      0.0961      0.2800                                   
                                   36      H            -0.0008     -0.0064     -0.0004                                   
                                   37      H            -0.0664      0.0937     -0.0049                                   
                                   38      H            -0.0114      0.0256     -0.1030                                   
                                   39      H            -0.0712      0.5299     -0.1360                                   
                                   40      H             0.2539      0.1023      0.1904                                   
                                   41      H            -0.3572      0.0096     -0.1741                                   
                                   42      H             0.0323      0.0609     -0.0370                                   
                                   43      H            -0.0371      0.0047     -0.0774                                   
                                   44      H             0.0035      0.0028     -0.0048                                   
                                   45      H             0.0024      0.0017      0.0010                                   
                                   46      H            -0.0052      0.0022     -0.0035                                   
                                   47      H             0.0059     -0.0044      0.0022                                   
                                   48      H             0.0033     -0.0021     -0.0023                                   
                                   49      H             0.0028     -0.0069      0.0026                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      113                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1515.31  cm**-1                                     
                                   Reduced mass:                       1.0743  amu                                        
                                   Force constant:                     1.4533  mdyne/A                                    
                                   IR intensity:                       1.9855  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0003      0.0006      0.0001                                   
                                   2       O             0.0006      0.0001     -0.0012                                   
                                   3       O            -0.0004     -0.0003      0.0000                                   
                                   4       C             0.0018     -0.0042     -0.0003                                   
                                   5       C            -0.0037      0.0004      0.0001                                   
                                   6       C            -0.0020      0.0023      0.0050                                   
                                   7       C             0.0130     -0.0190      0.0271                                   
                                   8       C            -0.0006      0.0003     -0.0020                                   
                                   9       C             0.0124     -0.0040      0.0009                                   
                                   10      C            -0.0011     -0.0012     -0.0039                                   
                                   11      C            -0.0008      0.0015      0.0012                                   
                                   12      C             0.0001      0.0032      0.0002                                   
                                   13      C            -0.0086      0.0351      0.0334                                   
                                   14      C            -0.0034      0.0025     -0.0009                                   
                                   15      C            -0.0020      0.0080     -0.0079                                   
                                   16      C             0.0402     -0.0123      0.0036                                   
                                   17      C             0.0019      0.0052     -0.0084                                   
                                   18      C             0.0003     -0.0001      0.0004                                   
                                   19      C            -0.0020     -0.0008     -0.0001                                   
                                   20      C            -0.0013     -0.0011      0.0005                                   
                                   21      C             0.0005      0.0036     -0.0008                                   
                                   22      C             0.0016     -0.0005      0.0005                                   
                                   23      C            -0.0002     -0.0001      0.0000                                   
                                   24      H             0.0115     -0.0032      0.0023                                   
                                   25      H            -0.0009      0.0011      0.0093                                   
                                   26      H             0.0460      0.2427     -0.1155                                   
                                   27      H            -0.1503      0.0191     -0.2134                                   
                                   28      H             0.0014      0.0127      0.0084                                   
                                   29      H             0.0009     -0.0057      0.0187                                   
                                   30      H             0.0044     -0.0023      0.0016                                   
                                   31      H            -0.0068      0.0035     -0.0025                                   
                                   32      H            -0.0149     -0.0054      0.0100                                   
                                   33      H            -0.0014      0.0027      0.0100                                   
                                   34      H             0.2445     -0.3248     -0.0832                                   
                                   35      H            -0.1169     -0.1455     -0.3771                                   
                                   36      H             0.0084     -0.0053     -0.0011                                   
                                   37      H             0.0323     -0.0870      0.0008                                   
                                   38      H             0.0046     -0.0254      0.0860                                   
                                   39      H             0.0378      0.1765     -0.2685                                   
                                   40      H            -0.1736     -0.1974      0.2051                                   
                                   41      H            -0.4661      0.1787      0.0066                                   
                                   42      H            -0.0421     -0.0691      0.0438                                   
                                   43      H             0.0149      0.0094      0.0987                                   
                                   44      H             0.0090      0.0035     -0.0028                                   
                                   45      H             0.0006     -0.0024      0.0012                                   
                                   46      H             0.0014     -0.0026      0.0010                                   
                                   47      H            -0.0021     -0.0002     -0.0003                                   
                                   48      H             0.0028     -0.0010     -0.0027                                   
                                   49      H            -0.0007     -0.0016      0.0002                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      114                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1569.10  cm**-1                                     
                                   Reduced mass:                       9.8051  amu                                        
                                   Force constant:                    14.2234  mdyne/A                                    
                                   IR intensity:                       1.6933  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000      0.0000     -0.0000                                   
                                   2       O            -0.0000      0.0000      0.0000                                   
                                   3       O            -0.0126      0.0069     -0.0025                                   
                                   4       C             0.0012     -0.0018      0.0001                                   
                                   5       C            -0.0016      0.0100      0.0006                                   
                                   6       C            -0.0000      0.0001      0.0000                                   
                                   7       C            -0.0004      0.0005     -0.0000                                   
                                   8       C            -0.0001      0.0002     -0.0001                                   
                                   9       C            -0.0003     -0.0007     -0.0051                                   
                                   10      C            -0.0001      0.0000      0.0001                                   
                                   11      C            -0.0060     -0.0012     -0.0026                                   
                                   12      C            -0.0004     -0.0021      0.0001                                   
                                   13      C            -0.0000     -0.0010     -0.0010                                   
                                   14      C             0.1351      0.0568      0.0268                                   
                                   15      C             0.0044     -0.0153      0.0096                                   
                                   16      C            -0.0007     -0.0046     -0.0042                                   
                                   17      C            -0.0000     -0.0001      0.0001                                   
                                   18      C            -0.0881      0.0016      0.0068                                   
                                   19      C            -0.4232     -0.3511     -0.0219                                   
                                   20      C             0.1190     -0.1159      0.0430                                   
                                   21      C             0.1453      0.4883     -0.0978                                   
                                   22      C             0.3232      0.0789      0.0549                                   
                                   23      C            -0.1640     -0.1632      0.0040                                   
                                   24      H            -0.0024     -0.0034     -0.0005                                   
                                   25      H            -0.0003     -0.0002     -0.0003                                   
                                   26      H             0.0017     -0.0040     -0.0002                                   
                                   27      H             0.0025     -0.0009      0.0007                                   
                                   28      H            -0.0001     -0.0002     -0.0003                                   
                                   29      H             0.0006     -0.0002      0.0003                                   
                                   30      H             0.0079      0.0107     -0.0011                                   
                                   31      H             0.0063     -0.0020      0.0162                                   
                                   32      H             0.0026      0.0113      0.0004                                   
                                   33      H             0.0054     -0.0024     -0.0169                                   
                                   34      H            -0.0083      0.0066      0.0034                                   
                                   35      H             0.0022      0.0029      0.0102                                   
                                   36      H             0.0364     -0.0705     -0.0059                                   
                                   37      H            -0.0179      0.0328      0.0054                                   
                                   38      H             0.0043      0.0007     -0.0323                                   
                                   39      H            -0.0178      0.0504      0.0415                                   
                                   40      H             0.0466      0.0260      0.0101                                   
                                   41      H             0.0055     -0.0126     -0.0168                                   
                                   42      H             0.0005      0.0008     -0.0006                                   
                                   43      H            -0.0004     -0.0000     -0.0012                                   
                                   44      H            -0.0887     -0.0109      0.0046                                   
                                   45      H            -0.0000     -0.0000     -0.0000                                   
                                   46      H             0.1235     -0.1028      0.0169                                   
                                   47      H            -0.3224      0.0941     -0.0943                                   
                                   48      H             0.0001     -0.0000     -0.0000                                   
                                   49      H            -0.1052      0.1098     -0.0594                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      115                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1637.48  cm**-1                                     
                                   Reduced mass:                       8.9585  amu                                        
                                   Force constant:                    14.1527  mdyne/A                                    
                                   IR intensity:                       8.8792  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000      0.0001     -0.0000                                   
                                   2       O            -0.0000      0.0000     -0.0000                                   
                                   3       O             0.0080      0.0098      0.0006                                   
                                   4       C            -0.0013     -0.0045      0.0009                                   
                                   5       C             0.0069      0.0130     -0.0060                                   
                                   6       C             0.0001     -0.0001      0.0000                                   
                                   7       C             0.0001      0.0004     -0.0002                                   
                                   8       C             0.0002      0.0007     -0.0001                                   
                                   9       C             0.0659      0.0332     -0.0134                                   
                                   10      C            -0.0001     -0.0001      0.0000                                   
                                   11      C             0.0008      0.0007      0.0002                                   
                                   12      C            -0.0008     -0.0001      0.0005                                   
                                   13      C            -0.0003      0.0004      0.0003                                   
                                   14      C            -0.0295     -0.0120     -0.0000                                   
                                   15      C             0.0019      0.0005     -0.0040                                   
                                   16      C            -0.0033      0.0030     -0.0121                                   
                                   17      C             0.0000     -0.0001      0.0000                                   
                                   18      C            -0.5792     -0.0817      0.0536                                   
                                   19      C             0.0818      0.0744     -0.0009                                   
                                   20      C             0.5831     -0.0331      0.0120                                   
                                   21      C            -0.1154     -0.0488     -0.0060                                   
                                   22      C            -0.0287     -0.0103     -0.0035                                   
                                   23      C             0.0101      0.0042      0.0008                                   
                                   24      H            -0.0119     -0.0067     -0.0064                                   
                                   25      H             0.0001      0.0010      0.0001                                   
                                   26      H            -0.0015      0.0009      0.0011                                   
                                   27      H             0.0015     -0.0010     -0.0025                                   
                                   28      H            -0.0013      0.0002     -0.0002                                   
                                   29      H             0.0031     -0.0010      0.0021                                   
                                   30      H             0.0009     -0.0006      0.0004                                   
                                   31      H            -0.0028      0.0023     -0.0010                                   
                                   32      H             0.0013      0.0018     -0.0008                                   
                                   33      H             0.0055     -0.0053     -0.0080                                   
                                   34      H             0.0033     -0.0023     -0.0015                                   
                                   35      H            -0.0007     -0.0009     -0.0021                                   
                                   36      H            -0.0248      0.0067     -0.0015                                   
                                   37      H             0.0085     -0.0033     -0.0022                                   
                                   38      H            -0.0098     -0.0137      0.0139                                   
                                   39      H             0.0046     -0.0438     -0.0029                                   
                                   40      H            -0.0199     -0.0221      0.0201                                   
                                   41      H             0.0123      0.0272      0.0404                                   
                                   42      H            -0.0000      0.0003     -0.0001                                   
                                   43      H            -0.0009      0.0003     -0.0001                                   
                                   44      H             0.0246      0.2987     -0.1610                                   
                                   45      H            -0.0000     -0.0003      0.0001                                   
                                   46      H            -0.0983      0.3317     -0.1755                                   
                                   47      H             0.0564     -0.0106      0.0176                                   
                                   48      H             0.0002     -0.0001     -0.0001                                   
                                   49      H             0.0142      0.0010     -0.0026                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      116                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2833.72  cm**-1                                     
                                   Reduced mass:                       1.0719  amu                                        
                                   Force constant:                     5.0713  mdyne/A                                    
                                   IR intensity:                      41.9952  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000      0.0000      0.0000                                   
                                   2       O            -0.0000     -0.0000      0.0000                                   
                                   3       O            -0.0001      0.0001     -0.0001                                   
                                   4       C             0.0001     -0.0001      0.0001                                   
                                   5       C            -0.0008      0.0001      0.0044                                   
                                   6       C            -0.0001     -0.0000      0.0001                                   
                                   7       C            -0.0000     -0.0001      0.0000                                   
                                   8       C             0.0000     -0.0000      0.0001                                   
                                   9       C             0.0004     -0.0008     -0.0032                                   
                                   10      C            -0.0000     -0.0000      0.0000                                   
                                   11      C            -0.0008     -0.0007      0.0019                                   
                                   12      C            -0.0001      0.0000      0.0001                                   
                                   13      C             0.0000      0.0001      0.0000                                   
                                   14      C            -0.0001     -0.0013     -0.0758                                   
                                   15      C            -0.0006      0.0017     -0.0008                                   
                                   16      C             0.0005     -0.0003      0.0004                                   
                                   17      C             0.0000      0.0000      0.0001                                   
                                   18      C            -0.0004     -0.0003      0.0001                                   
                                   19      C            -0.0034     -0.0004     -0.0027                                   
                                   20      C             0.0006     -0.0002      0.0002                                   
                                   21      C             0.0002      0.0011     -0.0001                                   
                                   22      C             0.0008     -0.0004      0.0001                                   
                                   23      C            -0.0001     -0.0003      0.0001                                   
                                   24      H             0.0093      0.0005     -0.0529                                   
                                   25      H             0.0010      0.0001     -0.0014                                   
                                   26      H            -0.0007     -0.0002     -0.0001                                   
                                   27      H             0.0004      0.0014     -0.0000                                   
                                   28      H             0.0001      0.0006     -0.0010                                   
                                   29      H            -0.0001     -0.0002     -0.0001                                   
                                   30      H             0.0048      0.0001     -0.0149                                   
                                   31      H             0.0040      0.0077     -0.0013                                   
                                   32      H             0.0009     -0.0001      0.0013                                   
                                   33      H            -0.0006     -0.0002     -0.0003                                   
                                   34      H            -0.0006     -0.0000     -0.0005                                   
                                   35      H             0.0002     -0.0003      0.0003                                   
                                   36      H             0.0229      0.0216      0.9945                                   
                                   37      H             0.0023      0.0046     -0.0249                                   
                                   38      H             0.0094     -0.0123     -0.0033                                   
                                   39      H            -0.0031     -0.0001     -0.0002                                   
                                   40      H            -0.0001     -0.0005     -0.0017                                   
                                   41      H             0.0002      0.0017     -0.0001                                   
                                   42      H            -0.0005     -0.0008     -0.0017                                   
                                   43      H             0.0001      0.0002      0.0000                                   
                                   44      H             0.0009     -0.0022     -0.0000                                   
                                   45      H            -0.0000     -0.0000     -0.0001                                   
                                   46      H            -0.0010     -0.0022      0.0006                                   
                                   47      H             0.0001     -0.0007      0.0001                                   
                                   48      H             0.0000      0.0001     -0.0001                                   
                                   49      H            -0.0013      0.0004     -0.0002                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      117                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2884.04  cm**-1                                     
                                   Reduced mass:                       1.0745  amu                                        
                                   Force constant:                     5.2657  mdyne/A                                    
                                   IR intensity:                      40.9375  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000     -0.0000     -0.0001                                   
                                   2       O             0.0001     -0.0000     -0.0002                                   
                                   3       O            -0.0000     -0.0000     -0.0000                                   
                                   4       C            -0.0010     -0.0009      0.0030                                   
                                   5       C            -0.0100     -0.0019      0.0764                                   
                                   6       C             0.0011      0.0000     -0.0014                                   
                                   7       C            -0.0001     -0.0006     -0.0005                                   
                                   8       C             0.0005      0.0012     -0.0014                                   
                                   9       C             0.0010      0.0002      0.0034                                   
                                   10      C            -0.0001      0.0000     -0.0001                                   
                                   11      C             0.0007      0.0008     -0.0028                                   
                                   12      C            -0.0046      0.0009     -0.0030                                   
                                   13      C            -0.0000      0.0002     -0.0009                                   
                                   14      C            -0.0002      0.0001      0.0037                                   
                                   15      C            -0.0000      0.0001     -0.0004                                   
                                   16      C             0.0006      0.0001     -0.0005                                   
                                   17      C            -0.0014     -0.0017     -0.0033                                   
                                   18      C            -0.0005      0.0004     -0.0005                                   
                                   19      C             0.0003      0.0000      0.0001                                   
                                   20      C            -0.0000      0.0000     -0.0000                                   
                                   21      C            -0.0001     -0.0001      0.0000                                   
                                   22      C            -0.0001      0.0000     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H             0.1210      0.0266     -0.9825                                   
                                   25      H            -0.0134     -0.0008      0.0171                                   
                                   26      H             0.0022      0.0010      0.0015                                   
                                   27      H             0.0001      0.0028      0.0006                                   
                                   28      H            -0.0041     -0.0112      0.0135                                   
                                   29      H            -0.0011     -0.0025     -0.0021                                   
                                   30      H            -0.0035     -0.0007      0.0302                                   
                                   31      H            -0.0049     -0.0096      0.0016                                   
                                   32      H             0.0449     -0.0131      0.0601                                   
                                   33      H             0.0016      0.0070     -0.0006                                   
                                   34      H             0.0036      0.0006      0.0042                                   
                                   35      H            -0.0016      0.0007      0.0004                                   
                                   36      H             0.0006     -0.0027     -0.0531                                   
                                   37      H            -0.0012      0.0004      0.0073                                   
                                   38      H             0.0012     -0.0018     -0.0011                                   
                                   39      H            -0.0008      0.0002      0.0011                                   
                                   40      H            -0.0022      0.0028      0.0005                                   
                                   41      H            -0.0017     -0.0037      0.0017                                   
                                   42      H             0.0146      0.0193      0.0451                                   
                                   43      H             0.0003      0.0022     -0.0017                                   
                                   44      H             0.0056     -0.0054      0.0027                                   
                                   45      H            -0.0001      0.0003      0.0007                                   
                                   46      H             0.0006      0.0013     -0.0001                                   
                                   47      H            -0.0000      0.0001      0.0000                                   
                                   48      H             0.0002     -0.0004      0.0003                                   
                                   49      H             0.0000     -0.0000      0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      118                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2891.29  cm**-1                                     
                                   Reduced mass:                       1.0721  amu                                        
                                   Force constant:                     5.2803  mdyne/A                                    
                                   IR intensity:                      59.8593  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0002      0.0001      0.0003                                   
                                   2       O             0.0023     -0.0009     -0.0031                                   
                                   3       O            -0.0000     -0.0000      0.0000                                   
                                   4       C             0.0000      0.0000     -0.0001                                   
                                   5       C             0.0005      0.0001     -0.0039                                   
                                   6       C            -0.0014      0.0003      0.0021                                   
                                   7       C             0.0001      0.0001      0.0002                                   
                                   8       C             0.0002     -0.0005      0.0018                                   
                                   9       C            -0.0000     -0.0000     -0.0002                                   
                                   10      C            -0.0021     -0.0011     -0.0029                                   
                                   11      C            -0.0000      0.0000      0.0005                                   
                                   12      C             0.0001      0.0003     -0.0002                                   
                                   13      C            -0.0002      0.0004      0.0003                                   
                                   14      C             0.0000     -0.0000     -0.0003                                   
                                   15      C            -0.0000      0.0001      0.0001                                   
                                   16      C            -0.0001     -0.0000      0.0000                                   
                                   17      C            -0.0259     -0.0312     -0.0642                                   
                                   18      C             0.0000     -0.0000      0.0000                                   
                                   19      C            -0.0000     -0.0000     -0.0000                                   
                                   20      C            -0.0000     -0.0000      0.0000                                   
                                   21      C             0.0000      0.0000     -0.0000                                   
                                   22      C             0.0000      0.0000     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H            -0.0063     -0.0012      0.0496                                   
                                   25      H             0.0183      0.0008     -0.0233                                   
                                   26      H            -0.0021     -0.0004     -0.0016                                   
                                   27      H            -0.0005     -0.0015      0.0002                                   
                                   28      H            -0.0003      0.0138     -0.0173                                   
                                   29      H            -0.0025     -0.0063     -0.0006                                   
                                   30      H             0.0006     -0.0000     -0.0056                                   
                                   31      H            -0.0002     -0.0002      0.0003                                   
                                   32      H             0.0012     -0.0009      0.0013                                   
                                   33      H            -0.0022     -0.0033     -0.0006                                   
                                   34      H            -0.0028     -0.0002     -0.0040                                   
                                   35      H             0.0057     -0.0037      0.0015                                   
                                   36      H            -0.0000      0.0002      0.0044                                   
                                   37      H             0.0002     -0.0000     -0.0008                                   
                                   38      H             0.0006     -0.0008     -0.0002                                   
                                   39      H             0.0005      0.0001      0.0001                                   
                                   40      H             0.0005     -0.0005     -0.0001                                   
                                   41      H             0.0003      0.0005     -0.0002                                   
                                   42      H             0.2855      0.3756      0.8749                                   
                                   43      H             0.0045      0.0203     -0.0396                                   
                                   44      H            -0.0003      0.0004     -0.0003                                   
                                   45      H            -0.0002     -0.0008     -0.0014                                   
                                   46      H             0.0001      0.0001     -0.0001                                   
                                   47      H            -0.0000     -0.0001      0.0000                                   
                                   48      H             0.0033     -0.0027      0.0045                                   
                                   49      H             0.0000     -0.0000      0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      119                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2925.13  cm**-1                                     
                                   Reduced mass:                       1.0756  amu                                        
                                   Force constant:                     5.4222  mdyne/A                                    
                                   IR intensity:                      75.6492  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0002     -0.0002      0.0003                                   
                                   2       O            -0.0001     -0.0001      0.0002                                   
                                   3       O             0.0000      0.0000      0.0000                                   
                                   4       C            -0.0001     -0.0003      0.0003                                   
                                   5       C             0.0002     -0.0000     -0.0016                                   
                                   6       C             0.0475      0.0027     -0.0619                                   
                                   7       C            -0.0004     -0.0036     -0.0003                                   
                                   8       C            -0.0002     -0.0005      0.0008                                   
                                   9       C            -0.0001     -0.0000     -0.0001                                   
                                   10      C             0.0018      0.0003     -0.0019                                   
                                   11      C            -0.0001      0.0001      0.0010                                   
                                   12      C             0.0001     -0.0000      0.0012                                   
                                   13      C             0.0012      0.0035      0.0021                                   
                                   14      C             0.0000     -0.0000     -0.0002                                   
                                   15      C             0.0001     -0.0001     -0.0001                                   
                                   16      C            -0.0000      0.0000     -0.0000                                   
                                   17      C            -0.0007     -0.0012     -0.0020                                   
                                   18      C             0.0000     -0.0000      0.0000                                   
                                   19      C            -0.0000      0.0000     -0.0000                                   
                                   20      C             0.0000      0.0000     -0.0000                                   
                                   21      C            -0.0000     -0.0000     -0.0000                                   
                                   22      C             0.0000     -0.0000      0.0000                                   
                                   23      C             0.0000     -0.0000      0.0000                                   
                                   24      H            -0.0028     -0.0005      0.0214                                   
                                   25      H            -0.6034     -0.0385      0.7855                                   
                                   26      H            -0.0078     -0.0064     -0.0083                                   
                                   27      H             0.0224      0.0533     -0.0080                                   
                                   28      H             0.0012      0.0066     -0.0093                                   
                                   29      H             0.0003     -0.0011     -0.0002                                   
                                   30      H             0.0020     -0.0006     -0.0135                                   
                                   31      H            -0.0002      0.0003      0.0006                                   
                                   32      H            -0.0062      0.0015     -0.0081                                   
                                   33      H             0.0022      0.0019     -0.0001                                   
                                   34      H            -0.0328     -0.0055     -0.0516                                   
                                   35      H             0.0362     -0.0306      0.0059                                   
                                   36      H            -0.0001      0.0001      0.0026                                   
                                   37      H            -0.0000     -0.0000      0.0007                                   
                                   38      H            -0.0013      0.0019      0.0007                                   
                                   39      H             0.0006      0.0001      0.0002                                   
                                   40      H             0.0001      0.0002     -0.0004                                   
                                   41      H             0.0003     -0.0005     -0.0001                                   
                                   42      H             0.0079      0.0106      0.0241                                   
                                   43      H             0.0025      0.0037     -0.0019                                   
                                   44      H            -0.0004      0.0002     -0.0001                                   
                                   45      H            -0.0047     -0.0029     -0.0002                                   
                                   46      H            -0.0003     -0.0006      0.0002                                   
                                   47      H             0.0000      0.0002     -0.0000                                   
                                   48      H            -0.0004      0.0003     -0.0010                                   
                                   49      H            -0.0002      0.0001     -0.0001                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      120                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2954.30  cm**-1                                     
                                   Reduced mass:                       1.0875  amu                                        
                                   Force constant:                     5.5925  mdyne/A                                    
                                   IR intensity:                      34.6790  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000      0.0000     -0.0001                                   
                                   2       O             0.0000      0.0000     -0.0000                                   
                                   3       O            -0.0000     -0.0000     -0.0000                                   
                                   4       C            -0.0012     -0.0006      0.0027                                   
                                   5       C            -0.0002     -0.0001      0.0021                                   
                                   6       C            -0.0003      0.0001      0.0005                                   
                                   7       C             0.0017      0.0047     -0.0010                                   
                                   8       C             0.0001     -0.0002     -0.0024                                   
                                   9       C             0.0000      0.0001      0.0003                                   
                                   10      C            -0.0000     -0.0000      0.0000                                   
                                   11      C            -0.0221     -0.0210      0.0779                                   
                                   12      C            -0.0009     -0.0001     -0.0009                                   
                                   13      C            -0.0006      0.0000     -0.0007                                   
                                   14      C            -0.0001     -0.0002      0.0004                                   
                                   15      C             0.0055     -0.0078     -0.0092                                   
                                   16      C            -0.0000     -0.0002      0.0000                                   
                                   17      C             0.0001      0.0001      0.0002                                   
                                   18      C            -0.0000      0.0000     -0.0000                                   
                                   19      C             0.0001     -0.0000      0.0000                                   
                                   20      C            -0.0000     -0.0000      0.0000                                   
                                   21      C            -0.0000     -0.0000     -0.0000                                   
                                   22      C            -0.0000      0.0001     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H             0.0037      0.0029     -0.0299                                   
                                   25      H             0.0044      0.0005     -0.0064                                   
                                   26      H             0.0014      0.0019      0.0002                                   
                                   27      H            -0.0208     -0.0558      0.0081                                   
                                   28      H            -0.0038     -0.0162      0.0218                                   
                                   29      H             0.0032      0.0192      0.0048                                   
                                   30      H             0.1135     -0.0388     -0.9088                                   
                                   31      H             0.1623      0.2960     -0.0700                                   
                                   32      H             0.0076     -0.0027      0.0107                                   
                                   33      H             0.0027      0.0039      0.0004                                   
                                   34      H             0.0050      0.0013      0.0082                                   
                                   35      H             0.0020     -0.0018     -0.0003                                   
                                   36      H             0.0021      0.0021     -0.0157                                   
                                   37      H            -0.0061     -0.0032      0.1200                                   
                                   38      H            -0.0616      0.0909      0.0268                                   
                                   39      H             0.0007      0.0001      0.0001                                   
                                   40      H            -0.0008      0.0009      0.0002                                   
                                   41      H             0.0002      0.0008     -0.0011                                   
                                   42      H            -0.0009     -0.0011     -0.0026                                   
                                   43      H            -0.0002     -0.0003      0.0002                                   
                                   44      H             0.0003     -0.0005      0.0003                                   
                                   45      H             0.0001      0.0001      0.0005                                   
                                   46      H             0.0002      0.0005     -0.0002                                   
                                   47      H            -0.0001     -0.0006      0.0002                                   
                                   48      H             0.0001     -0.0001      0.0001                                   
                                   49      H             0.0001     -0.0001      0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      121                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2962.50  cm**-1                                     
                                   Reduced mass:                       1.0911  amu                                        
                                   Force constant:                     5.6422  mdyne/A                                    
                                   IR intensity:                       6.8416  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000     -0.0001     -0.0000                                   
                                   2       O             0.0000     -0.0000     -0.0000                                   
                                   3       O            -0.0000     -0.0000     -0.0000                                   
                                   4       C             0.0000     -0.0000      0.0001                                   
                                   5       C             0.0007      0.0001      0.0030                                   
                                   6       C            -0.0009      0.0001     -0.0029                                   
                                   7       C             0.0020      0.0026      0.0006                                   
                                   8       C             0.0002      0.0014     -0.0010                                   
                                   9       C             0.0000     -0.0001      0.0000                                   
                                   10      C            -0.0000      0.0001      0.0002                                   
                                   11      C            -0.0003     -0.0006     -0.0002                                   
                                   12      C             0.0298      0.0109      0.0307                                   
                                   13      C            -0.0538      0.0175     -0.0486                                   
                                   14      C             0.0000      0.0001      0.0001                                   
                                   15      C            -0.0006      0.0008      0.0008                                   
                                   16      C            -0.0014      0.0005      0.0001                                   
                                   17      C             0.0001      0.0000     -0.0003                                   
                                   18      C             0.0003     -0.0004      0.0001                                   
                                   19      C             0.0000      0.0000      0.0000                                   
                                   20      C            -0.0000      0.0000      0.0000                                   
                                   21      C            -0.0000      0.0000      0.0000                                   
                                   22      C            -0.0000     -0.0000      0.0000                                   
                                   23      C            -0.0000     -0.0000      0.0000                                   
                                   24      H             0.0030      0.0011     -0.0310                                   
                                   25      H            -0.0120     -0.0012      0.0165                                   
                                   26      H            -0.0096     -0.0045     -0.0117                                   
                                   27      H            -0.0106     -0.0265      0.0056                                   
                                   28      H            -0.0019     -0.0097      0.0140                                   
                                   29      H            -0.0014     -0.0061     -0.0026                                   
                                   30      H            -0.0009     -0.0002      0.0053                                   
                                   31      H             0.0043      0.0076     -0.0031                                   
                                   32      H            -0.2440      0.0888     -0.3600                                   
                                   33      H            -0.1445     -0.2175     -0.0341                                   
                                   34      H             0.3564      0.1109      0.6120                                   
                                   35      H             0.3244     -0.3218      0.0035                                   
                                   36      H             0.0000     -0.0001     -0.0011                                   
                                   37      H             0.0004      0.0003     -0.0059                                   
                                   38      H             0.0075     -0.0110     -0.0036                                   
                                   39      H             0.0089      0.0021      0.0023                                   
                                   40      H             0.0051     -0.0083     -0.0023                                   
                                   41      H             0.0000      0.0005      0.0001                                   
                                   42      H             0.0007      0.0008      0.0024                                   
                                   43      H             0.0009     -0.0010      0.0001                                   
                                   44      H            -0.0020      0.0034     -0.0020                                   
                                   45      H            -0.0004      0.0004      0.0002                                   
                                   46      H            -0.0001     -0.0002      0.0000                                   
                                   47      H             0.0000      0.0003     -0.0001                                   
                                   48      H             0.0002     -0.0000      0.0000                                   
                                   49      H            -0.0000     -0.0000     -0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      122                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2971.26  cm**-1                                     
                                   Reduced mass:                       1.0699  amu                                        
                                   Force constant:                     5.5652  mdyne/A                                    
                                   IR intensity:                      17.1856  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000     -0.0000      0.0000                                   
                                   2       O            -0.0000      0.0000      0.0000                                   
                                   3       O            -0.0001     -0.0001      0.0000                                   
                                   4       C            -0.0002     -0.0017     -0.0003                                   
                                   5       C             0.0002     -0.0000     -0.0002                                   
                                   6       C             0.0009      0.0005     -0.0010                                   
                                   7       C             0.0062      0.0154     -0.0022                                   
                                   8       C             0.0006      0.0033      0.0004                                   
                                   9       C             0.0002     -0.0001     -0.0001                                   
                                   10      C             0.0001      0.0001     -0.0000                                   
                                   11      C            -0.0245     -0.0443      0.0026                                   
                                   12      C            -0.0016     -0.0009     -0.0013                                   
                                   13      C             0.0005      0.0000      0.0009                                   
                                   14      C            -0.0007      0.0016      0.0016                                   
                                   15      C            -0.0282      0.0372      0.0239                                   
                                   16      C             0.0006      0.0001     -0.0003                                   
                                   17      C            -0.0001     -0.0002     -0.0000                                   
                                   18      C            -0.0000      0.0000      0.0000                                   
                                   19      C             0.0001     -0.0000      0.0000                                   
                                   20      C            -0.0001     -0.0000     -0.0000                                   
                                   21      C             0.0000      0.0000     -0.0000                                   
                                   22      C            -0.0001     -0.0005      0.0001                                   
                                   23      C            -0.0000      0.0001     -0.0000                                   
                                   24      H            -0.0003      0.0005      0.0006                                   
                                   25      H            -0.0096     -0.0006      0.0124                                   
                                   26      H            -0.0001      0.0065     -0.0052                                   
                                   27      H            -0.0765     -0.1955      0.0317                                   
                                   28      H            -0.0002     -0.0020      0.0058                                   
                                   29      H            -0.0058     -0.0371     -0.0096                                   
                                   30      H            -0.0375     -0.0175      0.1961                                   
                                   31      H             0.3311      0.5827     -0.2193                                   
                                   32      H             0.0095     -0.0039      0.0143                                   
                                   33      H             0.0100      0.0139      0.0027                                   
                                   34      H            -0.0073     -0.0022     -0.0125                                   
                                   35      H            -0.0007      0.0015      0.0003                                   
                                   36      H            -0.0003     -0.0005     -0.0155                                   
                                   37      H            -0.0020      0.0193     -0.1198                                   
                                   38      H             0.3422     -0.4970     -0.1732                                   
                                   39      H            -0.0024     -0.0003     -0.0009                                   
                                   40      H            -0.0029      0.0043      0.0012                                   
                                   41      H            -0.0019     -0.0052      0.0022                                   
                                   42      H             0.0001      0.0001      0.0004                                   
                                   43      H             0.0010      0.0018     -0.0002                                   
                                   44      H             0.0002      0.0001      0.0001                                   
                                   45      H             0.0000     -0.0001     -0.0003                                   
                                   46      H             0.0005      0.0006     -0.0003                                   
                                   47      H             0.0005      0.0040     -0.0011                                   
                                   48      H             0.0001     -0.0000     -0.0000                                   
                                   49      H             0.0007     -0.0003      0.0003                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      123                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2976.75  cm**-1                                     
                                   Reduced mass:                       1.0975  amu                                        
                                   Force constant:                     5.7299  mdyne/A                                    
                                   IR intensity:                      59.9357  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000     -0.0001      0.0001                                   
                                   2       O            -0.0001     -0.0000      0.0001                                   
                                   3       O             0.0000     -0.0000      0.0000                                   
                                   4       C             0.0004      0.0007     -0.0004                                   
                                   5       C            -0.0010     -0.0010     -0.0047                                   
                                   6       C            -0.0002      0.0010     -0.0018                                   
                                   7       C             0.0081      0.0167     -0.0010                                   
                                   8       C            -0.0015     -0.0083      0.0053                                   
                                   9       C            -0.0000      0.0001     -0.0001                                   
                                   10      C             0.0000     -0.0000      0.0001                                   
                                   11      C             0.0035      0.0067     -0.0010                                   
                                   12      C            -0.0514     -0.0234     -0.0474                                   
                                   13      C            -0.0358      0.0156     -0.0250                                   
                                   14      C            -0.0000     -0.0000     -0.0001                                   
                                   15      C            -0.0009      0.0014      0.0021                                   
                                   16      C            -0.0012      0.0011      0.0003                                   
                                   17      C            -0.0016     -0.0030      0.0008                                   
                                   18      C            -0.0006      0.0009     -0.0002                                   
                                   19      C             0.0000      0.0000      0.0000                                   
                                   20      C            -0.0000     -0.0001      0.0000                                   
                                   21      C            -0.0000      0.0000     -0.0000                                   
                                   22      C            -0.0000     -0.0000      0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H            -0.0053     -0.0010      0.0500                                   
                                   25      H            -0.0110     -0.0015      0.0144                                   
                                   26      H            -0.0159     -0.0002     -0.0213                                   
                                   27      H            -0.0818     -0.2067      0.0363                                   
                                   28      H             0.0086      0.0554     -0.0796                                   
                                   29      H             0.0098      0.0450      0.0165                                   
                                   30      H             0.0041      0.0027     -0.0184                                   
                                   31      H            -0.0487     -0.0868      0.0317                                   
                                   32      H             0.3407     -0.1315      0.4988                                   
                                   33      H             0.2952      0.4304      0.0795                                   
                                   34      H             0.1623      0.0572      0.2799                                   
                                   35      H             0.2716     -0.2613      0.0130                                   
                                   36      H            -0.0002      0.0001      0.0024                                   
                                   37      H             0.0021      0.0001     -0.0213                                   
                                   38      H             0.0112     -0.0161     -0.0047                                   
                                   39      H             0.0036      0.0015      0.0015                                   
                                   40      H             0.0111     -0.0140     -0.0029                                   
                                   41      H            -0.0002      0.0008      0.0003                                   
                                   42      H            -0.0027     -0.0045     -0.0050                                   
                                   43      H             0.0219      0.0385     -0.0039                                   
                                   44      H             0.0043     -0.0072      0.0041                                   
                                   45      H            -0.0006      0.0005     -0.0003                                   
                                   46      H             0.0008      0.0015     -0.0007                                   
                                   47      H             0.0000      0.0001     -0.0000                                   
                                   48      H             0.0002     -0.0003      0.0000                                   
                                   49      H             0.0001     -0.0001      0.0001                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      124                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2977.67  cm**-1                                     
                                   Reduced mass:                       1.0751  amu                                        
                                   Force constant:                     5.6165  mdyne/A                                    
                                   IR intensity:                      40.3301  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0000     -0.0001      0.0001                                   
                                   2       O             0.0000     -0.0000      0.0000                                   
                                   3       O             0.0000      0.0000     -0.0000                                   
                                   4       C             0.0005      0.0003     -0.0006                                   
                                   5       C             0.0001     -0.0001     -0.0000                                   
                                   6       C             0.0019      0.0011     -0.0018                                   
                                   7       C             0.0161      0.0363     -0.0039                                   
                                   8       C             0.0002      0.0009      0.0014                                   
                                   9       C            -0.0002      0.0001      0.0001                                   
                                   10      C             0.0000      0.0002     -0.0001                                   
                                   11      C            -0.0108     -0.0276     -0.0133                                   
                                   12      C             0.0023      0.0001      0.0027                                   
                                   13      C             0.0024     -0.0012      0.0019                                   
                                   14      C             0.0007     -0.0012     -0.0020                                   
                                   15      C             0.0291     -0.0418     -0.0288                                   
                                   16      C             0.0001     -0.0001      0.0001                                   
                                   17      C            -0.0000      0.0001     -0.0002                                   
                                   18      C             0.0001     -0.0001     -0.0000                                   
                                   19      C            -0.0001     -0.0001      0.0000                                   
                                   20      C             0.0000     -0.0000      0.0000                                   
                                   21      C             0.0000      0.0001     -0.0000                                   
                                   22      C             0.0001      0.0005     -0.0001                                   
                                   23      C            -0.0000     -0.0001      0.0000                                   
                                   24      H             0.0002      0.0003     -0.0009                                   
                                   25      H            -0.0183     -0.0013      0.0234                                   
                                   26      H            -0.0173      0.0095     -0.0283                                   
                                   27      H            -0.1819     -0.4612      0.0784                                   
                                   28      H             0.0017      0.0090     -0.0113                                   
                                   29      H            -0.0029     -0.0206     -0.0051                                   
                                   30      H            -0.0458     -0.0042      0.2936                                   
                                   31      H             0.1920      0.3344     -0.1330                                   
                                   32      H            -0.0222      0.0076     -0.0318                                   
                                   33      H            -0.0062     -0.0102     -0.0010                                   
                                   34      H            -0.0132     -0.0048     -0.0225                                   
                                   35      H            -0.0186      0.0189     -0.0010                                   
                                   36      H             0.0002      0.0003      0.0157                                   
                                   37      H            -0.0025     -0.0191      0.1638                                   
                                   38      H            -0.3683      0.5333      0.1841                                   
                                   39      H            -0.0022     -0.0005     -0.0003                                   
                                   40      H             0.0006     -0.0011     -0.0002                                   
                                   41      H             0.0007      0.0020     -0.0001                                   
                                   42      H             0.0008      0.0008      0.0020                                   
                                   43      H            -0.0006     -0.0011      0.0000                                   
                                   44      H            -0.0006      0.0004     -0.0003                                   
                                   45      H            -0.0006     -0.0003     -0.0008                                   
                                   46      H             0.0000      0.0002     -0.0001                                   
                                   47      H            -0.0006     -0.0048      0.0012                                   
                                   48      H            -0.0001      0.0002     -0.0001                                   
                                   49      H            -0.0005      0.0003     -0.0002                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      125                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2979.68  cm**-1                                     
                                   Reduced mass:                       1.0740  amu                                        
                                   Force constant:                     5.6181  mdyne/A                                    
                                   IR intensity:                      86.4766  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000      0.0002     -0.0002                                   
                                   2       O            -0.0000      0.0000     -0.0000                                   
                                   3       O             0.0000      0.0000      0.0000                                   
                                   4       C            -0.0012     -0.0026      0.0004                                   
                                   5       C             0.0001      0.0002     -0.0013                                   
                                   6       C            -0.0030     -0.0016      0.0024                                   
                                   7       C            -0.0241     -0.0565      0.0074                                   
                                   8       C             0.0018      0.0090     -0.0001                                   
                                   9       C            -0.0001      0.0000      0.0000                                   
                                   10      C            -0.0001     -0.0000      0.0002                                   
                                   11      C            -0.0135     -0.0283     -0.0026                                   
                                   12      C            -0.0123     -0.0039     -0.0123                                   
                                   13      C            -0.0108      0.0057     -0.0070                                   
                                   14      C             0.0002     -0.0004     -0.0007                                   
                                   15      C             0.0109     -0.0162     -0.0132                                   
                                   16      C            -0.0013     -0.0003      0.0012                                   
                                   17      C            -0.0005     -0.0008      0.0001                                   
                                   18      C            -0.0002      0.0003     -0.0001                                   
                                   19      C            -0.0000     -0.0001      0.0000                                   
                                   20      C            -0.0000     -0.0001      0.0001                                   
                                   21      C             0.0000      0.0001     -0.0000                                   
                                   22      C             0.0001      0.0002     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H            -0.0022     -0.0012      0.0160                                   
                                   25      H             0.0266      0.0019     -0.0331                                   
                                   26      H             0.0124     -0.0209      0.0304                                   
                                   27      H             0.2875      0.7255     -0.1241                                   
                                   28      H            -0.0019     -0.0153      0.0284                                   
                                   29      H            -0.0189     -0.0941     -0.0261                                   
                                   30      H            -0.0289     -0.0084      0.1649                                   
                                   31      H             0.2032      0.3600     -0.1352                                   
                                   32      H             0.0930     -0.0342      0.1352                                   
                                   33      H             0.0573      0.0852      0.0140                                   
                                   34      H             0.0445      0.0173      0.0782                                   
                                   35      H             0.0911     -0.0885      0.0054                                   
                                   36      H             0.0003      0.0004      0.0040                                   
                                   37      H            -0.0053     -0.0071      0.0935                                   
                                   38      H            -0.1392      0.2017      0.0680                                   
                                   39      H            -0.0019     -0.0002      0.0006                                   
                                   40      H             0.0101     -0.0136     -0.0032                                   
                                   41      H             0.0063      0.0170     -0.0100                                   
                                   42      H            -0.0003     -0.0004      0.0001                                   
                                   43      H             0.0049      0.0092     -0.0011                                   
                                   44      H             0.0015     -0.0023      0.0011                                   
                                   45      H             0.0008      0.0001      0.0008                                   
                                   46      H             0.0007      0.0014     -0.0006                                   
                                   47      H            -0.0004     -0.0026      0.0006                                   
                                   48      H             0.0003     -0.0000      0.0001                                   
                                   49      H             0.0000      0.0001     -0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      126                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2986.27  cm**-1                                     
                                   Reduced mass:                       1.0519  amu                                        
                                   Force constant:                     5.5269  mdyne/A                                    
                                   IR intensity:                      44.2239  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001     -0.0001     -0.0000                                   
                                   2       O             0.0000      0.0001      0.0001                                   
                                   3       O             0.0000      0.0000      0.0000                                   
                                   4       C            -0.0001     -0.0002      0.0001                                   
                                   5       C            -0.0002      0.0008     -0.0021                                   
                                   6       C             0.0034     -0.0017     -0.0051                                   
                                   7       C            -0.0000     -0.0006      0.0009                                   
                                   8       C            -0.0004     -0.0025      0.0040                                   
                                   9       C             0.0001      0.0000     -0.0001                                   
                                   10      C             0.0002     -0.0000      0.0002                                   
                                   11      C            -0.0003     -0.0006     -0.0003                                   
                                   12      C            -0.0038      0.0128     -0.0154                                   
                                   13      C             0.0188     -0.0441     -0.0348                                   
                                   14      C            -0.0000      0.0000     -0.0001                                   
                                   15      C             0.0001     -0.0002      0.0002                                   
                                   16      C            -0.0006      0.0003     -0.0002                                   
                                   17      C             0.0004      0.0007     -0.0005                                   
                                   18      C             0.0002     -0.0003      0.0001                                   
                                   19      C            -0.0000      0.0000     -0.0000                                   
                                   20      C             0.0000      0.0001     -0.0000                                   
                                   21      C            -0.0000     -0.0000     -0.0000                                   
                                   22      C             0.0000     -0.0000      0.0000                                   
                                   23      C             0.0000     -0.0000      0.0000                                   
                                   24      H            -0.0021     -0.0006      0.0240                                   
                                   25      H            -0.0428     -0.0038      0.0549                                   
                                   26      H            -0.0075     -0.0037     -0.0078                                   
                                   27      H             0.0059      0.0116     -0.0019                                   
                                   28      H             0.0054      0.0353     -0.0490                                   
                                   29      H            -0.0009     -0.0050      0.0012                                   
                                   30      H            -0.0010     -0.0000      0.0068                                   
                                   31      H             0.0048      0.0088     -0.0033                                   
                                   32      H             0.1550     -0.0424      0.2152                                   
                                   33      H            -0.0969     -0.1249     -0.0393                                   
                                   34      H             0.3169      0.0593      0.4892                                   
                                   35      H            -0.5439      0.4939     -0.0657                                   
                                   36      H            -0.0001      0.0001      0.0016                                   
                                   37      H             0.0003     -0.0002     -0.0034                                   
                                   38      H            -0.0016      0.0024      0.0010                                   
                                   39      H             0.0070      0.0016      0.0016                                   
                                   40      H             0.0007     -0.0018      0.0004                                   
                                   41      H            -0.0017     -0.0032      0.0023                                   
                                   42      H             0.0023      0.0032      0.0057                                   
                                   43      H            -0.0075     -0.0111      0.0021                                   
                                   44      H            -0.0022      0.0025     -0.0019                                   
                                   45      H            -0.0006     -0.0003      0.0004                                   
                                   46      H            -0.0005     -0.0009      0.0004                                   
                                   47      H             0.0000      0.0001     -0.0000                                   
                                   48      H            -0.0000     -0.0003     -0.0004                                   
                                   49      H            -0.0001      0.0000     -0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      127                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2996.28  cm**-1                                     
                                   Reduced mass:                       1.0733  amu                                        
                                   Force constant:                     5.6772  mdyne/A                                    
                                   IR intensity:                       4.4966  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001      0.0003      0.0002                                   
                                   2       O             0.0000     -0.0000     -0.0000                                   
                                   3       O            -0.0000     -0.0000     -0.0000                                   
                                   4       C            -0.0008     -0.0017      0.0006                                   
                                   5       C            -0.0001      0.0014     -0.0013                                   
                                   6       C            -0.0008     -0.0000      0.0011                                   
                                   7       C            -0.0005     -0.0022      0.0007                                   
                                   8       C            -0.0116     -0.0576      0.0143                                   
                                   9       C             0.0002      0.0001      0.0001                                   
                                   10      C            -0.0001     -0.0016      0.0000                                   
                                   11      C            -0.0014     -0.0031     -0.0004                                   
                                   12      C             0.0103      0.0416     -0.0132                                   
                                   13      C            -0.0065      0.0128      0.0056                                   
                                   14      C            -0.0000      0.0000     -0.0000                                   
                                   15      C             0.0003     -0.0004     -0.0012                                   
                                   16      C             0.0008     -0.0006      0.0004                                   
                                   17      C             0.0008      0.0016      0.0004                                   
                                   18      C             0.0008     -0.0010      0.0003                                   
                                   19      C             0.0000      0.0000      0.0000                                   
                                   20      C             0.0000      0.0000     -0.0000                                   
                                   21      C             0.0001      0.0000      0.0000                                   
                                   22      C             0.0000      0.0000     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H             0.0006      0.0010      0.0120                                   
                                   25      H             0.0102      0.0014     -0.0132                                   
                                   26      H            -0.0039     -0.0022     -0.0028                                   
                                   27      H             0.0115      0.0301     -0.0060                                   
                                   28      H             0.0292      0.2096     -0.3288                                   
                                   29      H             0.1122      0.5034      0.1559                                   
                                   30      H            -0.0036     -0.0010      0.0208                                   
                                   31      H             0.0224      0.0420     -0.0155                                   
                                   32      H             0.2156     -0.0458      0.2932                                   
                                   33      H            -0.3508     -0.4666     -0.1235                                   
                                   34      H            -0.0622     -0.0102     -0.0957                                   
                                   35      H             0.1507     -0.1363      0.0165                                   
                                   36      H             0.0001     -0.0000     -0.0006                                   
                                   37      H            -0.0013     -0.0001      0.0136                                   
                                   38      H            -0.0028      0.0041      0.0009                                   
                                   39      H            -0.0099     -0.0024     -0.0024                                   
                                   40      H            -0.0023      0.0027      0.0005                                   
                                   41      H             0.0029      0.0056     -0.0034                                   
                                   42      H            -0.0032     -0.0036     -0.0093                                   
                                   43      H            -0.0101     -0.0165      0.0037                                   
                                   44      H            -0.0072      0.0092     -0.0057                                   
                                   45      H             0.0016     -0.0011     -0.0030                                   
                                   46      H            -0.0006     -0.0012      0.0005                                   
                                   47      H            -0.0000     -0.0003      0.0001                                   
                                   48      H             0.0003      0.0006     -0.0000                                   
                                   49      H             0.0002     -0.0001      0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      128                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                2999.40  cm**-1                                     
                                   Reduced mass:                       1.0753  amu                                        
                                   Force constant:                     5.6994  mdyne/A                                    
                                   IR intensity:                      72.5320  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0001      0.0003      0.0002                                   
                                   2       O             0.0001      0.0001     -0.0001                                   
                                   3       O             0.0000      0.0000      0.0000                                   
                                   4       C            -0.0006     -0.0018      0.0006                                   
                                   5       C            -0.0000     -0.0011      0.0028                                   
                                   6       C             0.0001     -0.0004      0.0001                                   
                                   7       C            -0.0027     -0.0065      0.0010                                   
                                   8       C            -0.0122     -0.0609      0.0157                                   
                                   9       C            -0.0001     -0.0002      0.0000                                   
                                   10      C            -0.0000     -0.0018      0.0002                                   
                                   11      C            -0.0019     -0.0039     -0.0002                                   
                                   12      C            -0.0040     -0.0370      0.0181                                   
                                   13      C             0.0072     -0.0107     -0.0022                                   
                                   14      C             0.0001      0.0000     -0.0000                                   
                                   15      C             0.0002      0.0000     -0.0035                                   
                                   16      C            -0.0010      0.0004     -0.0001                                   
                                   17      C             0.0022      0.0041     -0.0009                                   
                                   18      C            -0.0009      0.0011     -0.0004                                   
                                   19      C            -0.0000     -0.0000     -0.0000                                   
                                   20      C            -0.0000     -0.0001      0.0000                                   
                                   21      C            -0.0001     -0.0000     -0.0000                                   
                                   22      C            -0.0000      0.0000     -0.0000                                   
                                   23      C            -0.0000      0.0000     -0.0000                                   
                                   24      H             0.0039      0.0009     -0.0365                                   
                                   25      H             0.0011     -0.0003     -0.0018                                   
                                   26      H             0.0014     -0.0018      0.0040                                   
                                   27      H             0.0330      0.0836     -0.0156                                   
                                   28      H             0.0310      0.2286     -0.3558                                   
                                   29      H             0.1182      0.5297      0.1644                                   
                                   30      H            -0.0041     -0.0013      0.0219                                   
                                   31      H             0.0287      0.0534     -0.0195                                   
                                   32      H            -0.2449      0.0602     -0.3385                                   
                                   33      H             0.2999      0.3955      0.1081                                   
                                   34      H             0.0357      0.0043      0.0534                                   
                                   35      H            -0.1315      0.1198     -0.0130                                   
                                   36      H             0.0002     -0.0000     -0.0008                                   
                                   37      H            -0.0048      0.0006      0.0457                                   
                                   38      H             0.0012     -0.0014     -0.0025                                   
                                   39      H             0.0095      0.0024      0.0024                                   
                                   40      H             0.0037     -0.0049     -0.0011                                   
                                   41      H            -0.0013     -0.0010      0.0004                                   
                                   42      H             0.0018      0.0036      0.0020                                   
                                   43      H            -0.0291     -0.0517      0.0065                                   
                                   44      H             0.0087     -0.0106      0.0061                                   
                                   45      H             0.0018     -0.0010     -0.0023                                   
                                   46      H             0.0008      0.0015     -0.0006                                   
                                   47      H            -0.0000     -0.0001      0.0000                                   
                                   48      H             0.0003     -0.0003     -0.0001                                   
                                   49      H            -0.0001      0.0001     -0.0000                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      129                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                3007.88  cm**-1                                     
                                   Reduced mass:                       1.0546  amu                                        
                                   Force constant:                     5.6215  mdyne/A                                    
                                   IR intensity:                      10.1471  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0001     -0.0001     -0.0003                                   
                                   2       O             0.0000      0.0001     -0.0000                                   
                                   3       O            -0.0000     -0.0000      0.0000                                   
                                   4       C             0.0003      0.0003      0.0012                                   
                                   5       C            -0.0002     -0.0001      0.0006                                   
                                   6       C            -0.0005     -0.0000      0.0005                                   
                                   7       C             0.0009      0.0011      0.0001                                   
                                   8       C