Optimization and normal modes

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

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"})

viewer.setViewStyle({"style": "outline", "width": 0.05})
viewer.setStyle({"stick": {}, "sphere": {"scale": 0.25}})

viewer.show()
../../_images/aaee908fc159a6576d66164bf2967cd23ea1fb30f9b5ca15d7ac0e0b6217d954.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.setViewStyle({"style": "outline", "width": 0.05})
    viewer.setStyle({"stick": {}, "sphere": {"scale": 0.25}})
    viewer.show()
total_steps = steps[-1] # number of configurations in the trajectory file

# Note that the slider only works in a Jupyter notebook.
ipywidgets.interact(return_viewer, file_name=xyz_file_name,
                    step=ipywidgets.IntSlider(min=0, max=total_steps, step=1, value=3))
<function __main__.return_viewer(file_name, step=0)>

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_drv = vlx.XtbDriver()
xtb_hessian_drv = vlx.XtbHessianDriver(xtb_drv)

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:                  44.70  cm**-1                                     
                                   Reduced mass:                       4.8488  amu                                        
                                   Force constant:                     0.0057  mdyne/A                                    
                                   IR intensity:                       1.4720  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0064     -0.0451      0.0008                                   
                                   2       O             0.2050      0.2565      0.2332                                   
                                   3       O            -0.0411      0.0482      0.1019                                   
                                   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     -0.0420     -0.0461                                   
                                   8       C            -0.0208     -0.0454     -0.0309                                   
                                   9       C            -0.0165     -0.0166     -0.0614                                   
                                   10      C            -0.0031     -0.0486     -0.0059                                   
                                   11      C             0.0080     -0.0215     -0.0762                                   
                                   12      C            -0.0153     -0.0333     -0.0499                                   
                                   13      C            -0.0075     -0.0404     -0.0440                                   
                                   14      C             0.0031     -0.0111     -0.0421                                   
                                   15      C             0.0030     -0.0194     -0.0647                                   
                                   16      C            -0.0231     -0.0020     -0.0622                                   
                                   17      C            -0.0033     -0.0293      0.0341                                   
                                   18      C            -0.0219     -0.0199     -0.0744                                   
                                   19      C            -0.0134      0.0115      0.0143                                   
                                   20      C            -0.0216     -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     -0.0271     -0.0621                                   
                                   25      H             0.0406     -0.0554     -0.0062                                   
                                   26      H             0.0425     -0.0374     -0.0606                                   
                                   27      H             0.0393     -0.0451     -0.0393                                   
                                   28      H            -0.0460     -0.0493     -0.0357                                   
                                   29      H            -0.0202     -0.0484     -0.0208                                   
                                   30      H             0.0134     -0.0016     -0.0763                                   
                                   31      H             0.0153     -0.0315     -0.0935                                   
                                   32      H            -0.0180     -0.0271     -0.0461                                   
                                   33      H            -0.0148     -0.0336     -0.0495                                   
                                   34      H            -0.0097     -0.0139     -0.0474                                   
                                   35      H            -0.0289     -0.0641     -0.0539                                   
                                   36      H             0.0394     -0.0091     -0.0426                                   
                                   37      H            -0.0080     -0.0318     -0.0656                                   
                                   38      H             0.0114     -0.0128     -0.0678                                   
                                   39      H            -0.0347      0.0590     -0.0651                                   
                                   40      H            -0.0705     -0.0356     -0.0621                                   
                                   41      H             0.0310     -0.0192     -0.0576                                   
                                   42      H            -0.2599     -0.1415      0.1614                                   
                                   43      H             0.0965     -0.1245     -0.2226                                   
                                   44      H            -0.0258     -0.0410     -0.1168                                   
                                   45      H             0.0311     -0.0641      0.0273                                   
                                   46      H            -0.0204     -0.0075     -0.0466                                   
                                   47      H            -0.0225      0.0459      0.1244                                   
                                   48      H             0.0690      0.3616      0.4350                                   
                                   49      H            -0.0555      0.0872      0.2197                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      2                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  50.41  cm**-1                                     
                                   Reduced mass:                       5.0830  amu                                        
                                   Force constant:                     0.0076  mdyne/A                                    
                                   IR intensity:                       1.2132  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0689     -0.0035     -0.0792                                   
                                   2       O             0.1582      0.2381     -0.0950                                   
                                   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     -0.0388     -0.0108                                   
                                   7       C            -0.0615     -0.0290      0.0518                                   
                                   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     -0.0113     -0.1196                                   
                                   18      C            -0.0496      0.0096      0.0953                                   
                                   19      C             0.0144      0.0190     -0.0103                                   
                                   20      C            -0.0527      0.0328      0.0501                                   
                                   21      C            -0.0139      0.0314     -0.0210                                   
                                   22      C             0.0622      0.0178     -0.1253                                   
                                   23      C             0.0581      0.0293     -0.1950                                   
                                   24      H            -0.0044     -0.0487      0.0757                                   
                                   25      H            -0.1059     -0.0398     -0.0418                                   
                                   26      H            -0.0951     -0.0098      0.0773                                   
                                   27      H            -0.0614     -0.0290      0.0526                                   
                                   28      H             0.0670     -0.1317     -0.0022                                   
                                   29      H             0.0399     -0.1006      0.0693                                   
                                   30      H             0.0164     -0.0865      0.1254                                   
                                   31      H             0.0384     -0.0417      0.1623                                   
                                   32      H             0.0275     -0.0161      0.0271                                   
                                   33      H            -0.0204     -0.0458      0.0943                                   
                                   34      H            -0.1181     -0.0227      0.0328                                   
                                   35      H            -0.0814     -0.0457     -0.0365                                   
                                   36      H            -0.0497     -0.0163      0.0655                                   
                                   37      H             0.0458      0.0181      0.1078                                   
                                   38      H             0.0390     -0.0018      0.1174                                   
                                   39      H            -0.0233     -0.0629      0.0914                                   
                                   40      H            -0.0095     -0.0205      0.0832                                   
                                   41      H            -0.0587     -0.0284      0.0717                                   
                                   42      H            -0.0209     -0.1037     -0.0499                                   
                                   43      H             0.1863     -0.0942     -0.2742                                   
                                   44      H            -0.0704      0.0151      0.1426                                   
                                   45      H            -0.1185      0.0246     -0.1164                                   
                                   46      H            -0.0816      0.0542      0.0574                                   
                                   47      H             0.0959      0.0087     -0.1536                                   
                                   48      H             0.0321      0.3294      0.0120                                   
                                   49      H             0.0848      0.0321     -0.2869                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      3                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  80.30  cm**-1                                     
                                   Reduced mass:                       3.6279  amu                                        
                                   Force constant:                     0.0138  mdyne/A                                    
                                   IR intensity:                       0.3426  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0917     -0.0902      0.0476                                   
                                   2       O             0.0163     -0.0262      0.1117                                   
                                   3       O             0.0282     -0.0635      0.0216                                   
                                   4       C             0.0042      0.0459     -0.0139                                   
                                   5       C             0.0149      0.0351     -0.0347                                   
                                   6       C            -0.0161      0.0664     -0.0569                                   
                                   7       C             0.0085      0.1001     -0.0088                                   
                                   8       C             0.0084      0.0171     -0.0232                                   
                                   9       C            -0.0033      0.0317      0.0257                                   
                                   10      C            -0.0075     -0.0383     -0.0177                                   
                                   11      C            -0.0080      0.0288      0.0193                                   
                                   12      C            -0.0176      0.0368     -0.1200                                   
                                   13      C            -0.0622      0.0823     -0.1463                                   
                                   14      C            -0.0086      0.0289      0.0190                                   
                                   15      C            -0.0100      0.0289      0.0182                                   
                                   16      C            -0.0452      0.0018      0.0345                                   
                                   17      C            -0.0986     -0.1293     -0.0183                                   
                                   18      C             0.0344      0.0449      0.0935                                   
                                   19      C            -0.0037     -0.0071      0.0063                                   
                                   20      C             0.0374      0.0299      0.1408                                   
                                   21      C             0.0168     -0.0076      0.0794                                   
                                   22      C            -0.0057     -0.0683     -0.1122                                   
                                   23      C             0.0143     -0.1004     -0.0962                                   
                                   24      H             0.0626      0.0027     -0.0293                                   
                                   25      H            -0.0092      0.1033     -0.0493                                   
                                   26      H             0.0016      0.1597     -0.0239                                   
                                   27      H             0.0339      0.0998      0.0434                                   
                                   28      H            -0.0093      0.0373     -0.0107                                   
                                   29      H             0.0447      0.0153     -0.0446                                   
                                   30      H            -0.0065      0.0023      0.0206                                   
                                   31      H            -0.0198      0.0422      0.0393                                   
                                   32      H             0.0087     -0.0147     -0.1519                                   
                                   33      H            -0.0401      0.0563     -0.1382                                   
                                   34      H            -0.1077      0.1741     -0.1354                                   
                                   35      H            -0.0904      0.0467     -0.2344                                   
                                   36      H            -0.0148      0.0324      0.0187                                   
                                   37      H            -0.0089      0.0260      0.0182                                   
                                   38      H            -0.0101      0.0294      0.0170                                   
                                   39      H            -0.0666      0.0926      0.0495                                   
                                   40      H            -0.1302     -0.0614      0.0473                                   
                                   41      H             0.0365     -0.0425      0.0135                                   
                                   42      H            -0.2353     -0.2530      0.0760                                   
                                   43      H            -0.1112     -0.1529     -0.2102                                   
                                   44      H             0.0595      0.0749      0.1219                                   
                                   45      H             0.1378     -0.1233      0.0828                                   
                                   46      H             0.0578      0.0439      0.2003                                   
                                   47      H            -0.0192     -0.0868     -0.1978                                   
                                   48      H             0.0146     -0.0122      0.2827                                   
                                   49      H             0.0206     -0.1474     -0.1579                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      4                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                  92.89  cm**-1                                     
                                   Reduced mass:                       4.4742  amu                                        
                                   Force constant:                     0.0227  mdyne/A                                    
                                   IR intensity:                       0.5233  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0616     -0.0844     -0.1625                                   
                                   2       O             0.0188     -0.0317      0.1284                                   
                                   3       O             0.0465     -0.0751     -0.1712                                   
                                   4       C             0.0045      0.0403     -0.0338                                   
                                   5       C             0.0065      0.0554      0.0398                                   
                                   6       C            -0.0408     -0.0539     -0.0320                                   
                                   7       C            -0.0258     -0.0310     -0.0489                                   
                                   8       C             0.0351      0.0905     -0.0832                                   
                                   9       C             0.0032      0.0528      0.0555                                   
                                   10      C             0.0020     -0.0175     -0.0698                                   
                                   11      C             0.0120      0.0434     -0.0115                                   
                                   12      C            -0.0201      0.0270      0.0757                                   
                                   13      C            -0.0494     -0.0433      0.0436                                   
                                   14      C            -0.0194      0.0181      0.1241                                   
                                   15      C            -0.0547      0.0412      0.1253                                   
                                   16      C            -0.0073      0.1491      0.0389                                   
                                   17      C            -0.0480     -0.0087      0.0208                                   
                                   18      C             0.0306     -0.0039     -0.0210                                   
                                   19      C            -0.0128     -0.0035      0.0987                                   
                                   20      C             0.0313     -0.0626     -0.1218                                   
                                   21      C             0.0280     -0.0509     -0.0875                                   
                                   22      C            -0.0268      0.0035      0.1453                                   
                                   23      C             0.0123     -0.0402     -0.0275                                   
                                   24      H             0.0210      0.0999      0.0427                                   
                                   25      H            -0.0637     -0.0966     -0.0520                                   
                                   26      H            -0.0416     -0.0471     -0.0279                                   
                                   27      H            -0.0035     -0.0482     -0.0967                                   
                                   28      H             0.0499      0.1766     -0.0229                                   
                                   29      H             0.0636      0.1150     -0.1876                                   
                                   30      H             0.1123      0.0715      0.0002                                   
                                   31      H            -0.0231      0.0392     -0.0827                                   
                                   32      H            -0.0047      0.0604      0.0733                                   
                                   33      H            -0.0351      0.0270      0.1271                                   
                                   34      H            -0.0694     -0.0865      0.0631                                   
                                   35      H            -0.0539     -0.0473      0.0617                                   
                                   36      H            -0.0079     -0.0086      0.1232                                   
                                   37      H            -0.1605      0.0882      0.1162                                   
                                   38      H            -0.0308      0.0275      0.2156                                   
                                   39      H             0.0131      0.0386      0.0464                                   
                                   40      H             0.0916      0.2440     -0.0372                                   
                                   41      H            -0.1340      0.2320      0.0935                                   
                                   42      H            -0.1257      0.0163      0.0353                                   
                                   43      H            -0.0588     -0.0046      0.0061                                   
                                   44      H             0.0401      0.0111     -0.0048                                   
                                   45      H             0.0640     -0.1876     -0.1377                                   
                                   46      H             0.0338     -0.0989     -0.2003                                   
                                   47      H            -0.0591      0.0374      0.2830                                   
                                   48      H             0.0129     -0.0267      0.1363                                   
                                   49      H             0.0208     -0.0510     -0.0664                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      5                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 134.98  cm**-1                                     
                                   Reduced mass:                       2.7638  amu                                        
                                   Force constant:                     0.0297  mdyne/A                                    
                                   IR intensity:                       1.4209  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0561      0.0708     -0.0248                                   
                                   2       O            -0.0102     -0.0323      0.0900                                   
                                   3       O             0.0035      0.0266      0.0318                                   
                                   4       C            -0.0079     -0.0468     -0.0397                                   
                                   5       C             0.0015     -0.0519     -0.0579                                   
                                   6       C             0.0327     -0.0117     -0.0173                                   
                                   7       C            -0.0212     -0.0693     -0.0459                                   
                                   8       C            -0.0225     -0.0245     -0.0272                                   
                                   9       C            -0.0177     -0.0048     -0.0183                                   
                                   10      C             0.0009      0.0346     -0.0161                                   
                                   11      C             0.0211     -0.0387      0.0068                                   
                                   12      C            -0.0163     -0.0604     -0.1086                                   
                                   13      C             0.0926     -0.0372     -0.0254                                   
                                   14      C             0.0090     -0.0137      0.0585                                   
                                   15      C            -0.0157      0.0086      0.0912                                   
                                   16      C            -0.0659      0.1001     -0.0332                                   
                                   17      C             0.0075      0.0980      0.0646                                   
                                   18      C            -0.0099     -0.0126     -0.0191                                   
                                   19      C             0.0113      0.0049      0.0529                                   
                                   20      C            -0.0089      0.0201      0.0880                                   
                                   21      C            -0.0125      0.0261      0.1028                                   
                                   22      C             0.0536     -0.0100     -0.0737                                   
                                   23      C             0.0453      0.0028     -0.0799                                   
                                   24      H             0.0269     -0.0856     -0.0556                                   
                                   25      H             0.0403      0.0132     -0.0105                                   
                                   26      H            -0.0223     -0.1541     -0.0186                                   
                                   27      H            -0.0787     -0.0576     -0.0999                                   
                                   28      H            -0.0156     -0.0538     -0.0463                                   
                                   29      H            -0.0591     -0.0262      0.0060                                   
                                   30      H             0.0826     -0.0536      0.0154                                   
                                   31      H             0.0263     -0.0460     -0.0060                                   
                                   32      H            -0.0870     -0.1555     -0.0833                                   
                                   33      H            -0.0438     -0.0183     -0.2164                                   
                                   34      H             0.1914     -0.0906     -0.0751                                   
                                   35      H             0.1248      0.0030      0.0708                                   
                                   36      H             0.0280     -0.0611      0.0578                                   
                                   37      H            -0.0831      0.0777      0.0856                                   
                                   38      H             0.0050     -0.0074      0.1816                                   
                                   39      H            -0.0270     -0.1630      0.0175                                   
                                   40      H             0.1578      0.3008     -0.1669                                   
                                   41      H            -0.3511      0.2546      0.0362                                   
                                   42      H             0.0291      0.2108      0.0113                                   
                                   43      H            -0.0216      0.1327      0.1909                                   
                                   44      H            -0.0039     -0.0309     -0.0712                                   
                                   45      H            -0.0085      0.0738      0.0039                                   
                                   46      H             0.0023      0.0252      0.1149                                   
                                   47      H             0.0862     -0.0303     -0.1511                                   
                                   48      H             0.0172     -0.0586     -0.0177                                   
                                   49      H             0.0644     -0.0026     -0.1519                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      6                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 147.49  cm**-1                                     
                                   Reduced mass:                       3.6991  amu                                        
                                   Force constant:                     0.0474  mdyne/A                                    
                                   IR intensity:                       1.2837  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0090      0.0630     -0.0205                                   
                                   2       O            -0.0379     -0.0388      0.0880                                   
                                   3       O             0.0061      0.0738     -0.1196                                   
                                   4       C            -0.0177     -0.0171     -0.0215                                   
                                   5       C             0.0300     -0.0520     -0.0073                                   
                                   6       C             0.0045      0.0645     -0.0469                                   
                                   7       C            -0.0254      0.0306     -0.0232                                   
                                   8       C            -0.0153      0.0431     -0.0383                                   
                                   9       C            -0.0001     -0.0854      0.0695                                   
                                   10      C            -0.0083      0.0601     -0.0334                                   
                                   11      C            -0.0221     -0.0278     -0.0161                                   
                                   12      C             0.0441     -0.0201     -0.0879                                   
                                   13      C             0.0282      0.0503     -0.0929                                   
                                   14      C             0.0296     -0.0642      0.0526                                   
                                   15      C            -0.0072     -0.0760     -0.0165                                   
                                   16      C            -0.0270     -0.1882      0.0890                                   
                                   17      C            -0.0487      0.0677      0.0299                                   
                                   18      C            -0.0460     -0.0431      0.1043                                   
                                   19      C             0.0347     -0.0123      0.0659                                   
                                   20      C            -0.0545     -0.0257     -0.0171                                   
                                   21      C            -0.0078     -0.0060     -0.0597                                   
                                   22      C             0.0906      0.0730      0.1145                                   
                                   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      0.0320     -0.0332                                   
                                   27      H            -0.0562      0.0472      0.0025                                   
                                   28      H             0.0148      0.0614     -0.0230                                   
                                   29      H            -0.0470      0.0582     -0.0647                                   
                                   30      H            -0.0229     -0.0200     -0.0166                                   
                                   31      H            -0.0328     -0.0249     -0.0248                                   
                                   32      H             0.0589     -0.0595     -0.1084                                   
                                   33      H             0.0453     -0.0165     -0.1147                                   
                                   34      H             0.0153      0.0809     -0.0908                                   
                                   35      H             0.0430      0.0633     -0.1301                                   
                                   36      H             0.0589     -0.0371      0.0516                                   
                                   37      H            -0.0092     -0.1434     -0.0172                                   
                                   38      H            -0.0288     -0.0752     -0.0652                                   
                                   39      H            -0.0672      0.0333      0.0794                                   
                                   40      H            -0.2230     -0.3584      0.1867                                   
                                   41      H             0.2015     -0.3231      0.0153                                   
                                   42      H            -0.0607      0.1171      0.0135                                   
                                   43      H            -0.0926      0.0987      0.0771                                   
                                   44      H            -0.0746     -0.0358      0.1718                                   
                                   45      H             0.0934      0.0204      0.0517                                   
                                   46      H            -0.0971     -0.0075     -0.0351                                   
                                   47      H             0.1413      0.0928      0.2205                                   
                                   48      H             0.0264     -0.0825      0.0750                                   
                                   49      H             0.0892      0.1815     -0.0305                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      7                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 162.66  cm**-1                                     
                                   Reduced mass:                       4.1265  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             0.0079      0.0542     -0.1177                                   
                                   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     -0.0760      0.0255                                   
                                   9       C            -0.0425      0.0445      0.0450                                   
                                   10      C             0.0085     -0.0313      0.0748                                   
                                   11      C             0.0384      0.0392     -0.1756                                   
                                   12      C            -0.0534     -0.0143     -0.0649                                   
                                   13      C             0.0389     -0.0291      0.0016                                   
                                   14      C            -0.0155      0.0572      0.0705                                   
                                   15      C            -0.0173      0.0119     -0.0666                                   
                                   16      C            -0.1040      0.0580      0.0492                                   
                                   17      C             0.0592     -0.0326     -0.0050                                   
                                   18      C             0.0028      0.0467      0.0915                                   
                                   19      C            -0.0325      0.0333      0.1247                                   
                                   20      C             0.0062      0.0054      0.0397                                   
                                   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      0.0374     -0.0402                                   
                                   25      H             0.1492     -0.0703      0.0804                                   
                                   26      H             0.1278     -0.0783     -0.0745                                   
                                   27      H             0.0945     -0.0542     -0.0611                                   
                                   28      H            -0.1167     -0.1338     -0.0212                                   
                                   29      H            -0.0448     -0.1008      0.1098                                   
                                   30      H             0.1031      0.1700     -0.1730                                   
                                   31      H             0.0366     -0.0053     -0.3096                                   
                                   32      H            -0.1127     -0.0934     -0.0430                                   
                                   33      H            -0.0916      0.0299     -0.1448                                   
                                   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      0.1895      0.0573                                   
                                   40      H            -0.2119     -0.0170      0.0439                                   
                                   41      H             0.0125      0.0138      0.0483                                   
                                   42      H             0.1156     -0.0786     -0.0047                                   
                                   43      H             0.0914     -0.0542     -0.0270                                   
                                   44      H             0.0276      0.0975      0.1665                                   
                                   45      H            -0.0558      0.1385      0.1324                                   
                                   46      H             0.0048      0.0139      0.0557                                   
                                   47      H            -0.0943      0.0364      0.2201                                   
                                   48      H            -0.0208      0.0741     -0.0986                                   
                                   49      H             0.0109     -0.0866     -0.1254                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      8                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 190.61  cm**-1                                     
                                   Reduced mass:                       1.9828  amu                                        
                                   Force constant:                     0.0424  mdyne/A                                    
                                   IR intensity:                       0.6577  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0005      0.0090      0.0019                                   
                                   2       O             0.0150     -0.0130      0.0228                                   
                                   3       O             0.0102     -0.0303     -0.0389                                   
                                   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     -0.0217      0.0089                                   
                                   8       C             0.0139     -0.0224      0.0100                                   
                                   9       C             0.0039      0.0165      0.0143                                   
                                   10      C             0.0050      0.0033     -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            -0.0098      0.0355     -0.0582                                   
                                   15      C             0.0402      0.0206     -0.0312                                   
                                   16      C             0.0088     -0.0400      0.0201                                   
                                   17      C            -0.0027     -0.0034     -0.0070                                   
                                   18      C             0.0176      0.0662      0.1134                                   
                                   19      C            -0.0079      0.0159     -0.0878                                   
                                   20      C             0.0171      0.0381      0.0115                                   
                                   21      C             0.0282     -0.0093     -0.1198                                   
                                   22      C            -0.0695      0.0173      0.0545                                   
                                   23      C            -0.0527     -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            -0.0901     -0.0134     -0.0424                                   
                                   28      H             0.0255     -0.0496     -0.0072                                   
                                   29      H             0.0122     -0.0302      0.0372                                   
                                   30      H            -0.0466     -0.0724      0.0443                                   
                                   31      H             0.0317     -0.0107      0.1181                                   
                                   32      H            -0.0553     -0.1025     -0.0603                                   
                                   33      H            -0.0585      0.0176     -0.1304                                   
                                   34      H             0.0944     -0.0296     -0.0538                                   
                                   35      H             0.0540      0.0226      0.0233                                   
                                   36      H            -0.0597      0.0623     -0.0558                                   
                                   37      H             0.1110      0.0236     -0.0250                                   
                                   38      H             0.0433      0.0349     -0.0676                                   
                                   39      H             0.0822     -0.4787      0.0738                                   
                                   40      H             0.3544      0.2187     -0.0266                                   
                                   41      H            -0.3940      0.1063      0.0090                                   
                                   42      H            -0.0211     -0.0054     -0.0002                                   
                                   43      H            -0.0136      0.0009     -0.0146                                   
                                   44      H             0.0231      0.1435      0.2821                                   
                                   45      H             0.0179      0.0113      0.0126                                   
                                   46      H             0.0003      0.0828      0.0880                                   
                                   47      H            -0.1206      0.0398      0.1339                                   
                                   48      H             0.0234     -0.0177      0.0347                                   
                                   49      H            -0.0772     -0.0199      0.1531                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      9                                                                
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 194.86  cm**-1                                     
                                   Reduced mass:                       2.7860  amu                                        
                                   Force constant:                     0.0623  mdyne/A                                    
                                   IR intensity:                       1.8619  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0229     -0.0386      0.0924                                   
                                   2       O            -0.0980      0.0820     -0.0506                                   
                                   3       O             0.0600      0.0386      0.0042                                   
                                   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            -0.0827     -0.0123      0.0266                                   
                                   11      C            -0.0188      0.0479     -0.0633                                   
                                   12      C             0.0266      0.0084      0.0385                                   
                                   13      C            -0.0083     -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             0.0405     -0.0375     -0.0167                                   
                                   19      C             0.0758     -0.0209      0.0332                                   
                                   20      C             0.0406     -0.0229      0.0095                                   
                                   21      C             0.0532     -0.0059      0.0241                                   
                                   22      C             0.1211      0.0150      0.0193                                   
                                   23      C             0.1031      0.0468      0.0015                                   
                                   24      H            -0.0080      0.0087      0.0098                                   
                                   25      H            -0.0317      0.0233      0.0162                                   
                                   26      H            -0.0923     -0.0926      0.0141                                   
                                   27      H            -0.1104     -0.0247     -0.0883                                   
                                   28      H            -0.0905      0.0818      0.0299                                   
                                   29      H            -0.0476      0.0475     -0.0404                                   
                                   30      H            -0.0024      0.1207     -0.0647                                   
                                   31      H            -0.0098      0.0197     -0.1309                                   
                                   32      H             0.0436      0.0493      0.0360                                   
                                   33      H             0.0360     -0.0076      0.0806                                   
                                   34      H            -0.0177     -0.0324      0.0215                                   
                                   35      H             0.0082      0.0105     -0.0010                                   
                                   36      H             0.1019     -0.0171      0.0048                                   
                                   37      H            -0.0415     -0.0125     -0.0388                                   
                                   38      H            -0.0547     -0.0323     -0.0352                                   
                                   39      H             0.1008     -0.3875      0.0282                                   
                                   40      H             0.3426      0.2293     -0.0946                                   
                                   41      H            -0.3261      0.1419      0.0016                                   
                                   42      H            -0.1730     -0.2188      0.0348                                   
                                   43      H            -0.0954     -0.1246     -0.1918                                   
                                   44      H             0.0398     -0.0461     -0.0370                                   
                                   45      H            -0.0998      0.0213      0.0315                                   
                                   46      H             0.0368     -0.0205      0.0090                                   
                                   47      H             0.1609      0.0119      0.0218                                   
                                   48      H            -0.1623      0.1330      0.0589                                   
                                   49      H             0.1138      0.0741     -0.0130                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      10                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 207.20  cm**-1                                     
                                   Reduced mass:                       3.6299  amu                                        
                                   Force constant:                     0.0918  mdyne/A                                    
                                   IR intensity:                      62.4825  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.2642     -0.0691      0.0764                                   
                                   2       O             0.0223      0.0392     -0.0417                                   
                                   3       O            -0.1026      0.0369      0.0002                                   
                                   4       C             0.0091     -0.0010     -0.0320                                   
                                   5       C             0.0060     -0.0060     -0.0015                                   
                                   6       C             0.0767      0.0527      0.0048                                   
                                   7       C             0.0205     -0.0094     -0.0300                                   
                                   8       C             0.0367      0.0789     -0.0472                                   
                                   9       C            -0.0322     -0.0356      0.0343                                   
                                   10      C             0.0748      0.0250      0.0088                                   
                                   11      C            -0.0307     -0.0282     -0.0215                                   
                                   12      C             0.0499      0.0205     -0.0014                                   
                                   13      C             0.1096      0.0353      0.0363                                   
                                   14      C            -0.0594     -0.0489      0.0324                                   
                                   15      C            -0.0656     -0.0431      0.0465                                   
                                   16      C            -0.0061     -0.0191      0.0296                                   
                                   17      C             0.0250     -0.0432     -0.0147                                   
                                   18      C            -0.0823     -0.0252      0.0161                                   
                                   19      C            -0.0609     -0.0248     -0.0026                                   
                                   20      C            -0.0910     -0.0060      0.0001                                   
                                   21      C            -0.0998     -0.0036      0.0071                                   
                                   22      C            -0.0306      0.0017     -0.0298                                   
                                   23      C            -0.0566      0.0402     -0.0244                                   
                                   24      H             0.0348      0.0070      0.0018                                   
                                   25      H             0.0697      0.0397     -0.0037                                   
                                   26      H             0.0387     -0.0880     -0.0243                                   
                                   27      H            -0.0526      0.0141     -0.0645                                   
                                   28      H             0.0500      0.1576      0.0080                                   
                                   29      H             0.0084      0.1110     -0.1326                                   
                                   30      H             0.0150     -0.0307     -0.0155                                   
                                   31      H            -0.0785     -0.0078     -0.0430                                   
                                   32      H             0.0195      0.0267      0.0209                                   
                                   33      H             0.0744      0.0088     -0.0326                                   
                                   34      H             0.1608     -0.0133      0.0139                                   
                                   35      H             0.1291      0.0606      0.0928                                   
                                   36      H            -0.0810     -0.0606      0.0327                                   
                                   37      H            -0.1169     -0.0137      0.0413                                   
                                   38      H            -0.0524     -0.0496      0.0937                                   
                                   39      H             0.0361     -0.2294      0.0274                                   
                                   40      H             0.1768      0.1200     -0.0052                                   
                                   41      H            -0.1911      0.0727      0.0610                                   
                                   42      H             0.0286     -0.0847      0.0036                                   
                                   43      H             0.0422     -0.0570     -0.0607                                   
                                   44      H            -0.1049     -0.0482      0.0048                                   
                                   45      H            -0.3220      0.1967     -0.3392                                   
                                   46      H            -0.0903     -0.0138     -0.0148                                   
                                   47      H             0.0054     -0.0052     -0.0486                                   
                                   48      H            -0.2114      0.1803     -0.2662                                   
                                   49      H            -0.0464      0.0706     -0.0347                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      11                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 209.80  cm**-1                                     
                                   Reduced mass:                       1.2485  amu                                        
                                   Force constant:                     0.0324  mdyne/A                                    
                                   IR intensity:                     210.4696  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0088      0.0314      0.0212                                   
                                   2       O             0.0272     -0.0105     -0.0492                                   
                                   3       O            -0.0322      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     -0.0128                                   
                                   8       C             0.0094      0.0227     -0.0176                                   
                                   9       C            -0.0083     -0.0096      0.0137                                   
                                   10      C             0.0184      0.0190     -0.0036                                   
                                   11      C            -0.0074     -0.0027     -0.0176                                   
                                   12      C             0.0210      0.0126      0.0246                                   
                                   13      C             0.0282      0.0055      0.0236                                   
                                   14      C            -0.0178     -0.0138      0.0121                                   
                                   15      C            -0.0224     -0.0116      0.0121                                   
                                   16      C             0.0082      0.0034      0.0106                                   
                                   17      C             0.0147     -0.0185     -0.0440                                   
                                   18      C            -0.0253     -0.0106     -0.0019                                   
                                   19      C            -0.0179     -0.0086      0.0007                                   
                                   20      C            -0.0279     -0.0045     -0.0038                                   
                                   21      C            -0.0311     -0.0008      0.0068                                   
                                   22      C            -0.0072     -0.0013     -0.0130                                   
                                   23      C            -0.0161      0.0119     -0.0089                                   
                                   24      H             0.0030      0.0160      0.0104                                   
                                   25      H             0.0153      0.0191     -0.0039                                   
                                   26      H             0.0055     -0.0287     -0.0100                                   
                                   27      H            -0.0024     -0.0110     -0.0218                                   
                                   28      H             0.0160      0.0471     -0.0001                                   
                                   29      H             0.0002      0.0347     -0.0504                                   
                                   30      H             0.0121      0.0110     -0.0153                                   
                                   31      H            -0.0210     -0.0028     -0.0399                                   
                                   32      H             0.0174      0.0343      0.0329                                   
                                   33      H             0.0349     -0.0000      0.0346                                   
                                   34      H             0.0314     -0.0170      0.0256                                   
                                   35      H             0.0302      0.0083      0.0349                                   
                                   36      H            -0.0242     -0.0146      0.0121                                   
                                   37      H            -0.0438     -0.0028      0.0103                                   
                                   38      H            -0.0183     -0.0142      0.0291                                   
                                   39      H             0.0282     -0.0943      0.0073                                   
                                   40      H             0.0941      0.0692     -0.0065                                   
                                   41      H            -0.0775      0.0476      0.0285                                   
                                   42      H             0.0060     -0.0934     -0.0140                                   
                                   43      H            -0.0056     -0.0188     -0.1102                                   
                                   44      H            -0.0332     -0.0229     -0.0158                                   
                                   45      H             0.5898     -0.2695      0.4526                                   
                                   46      H            -0.0271     -0.0107     -0.0157                                   
                                   47      H             0.0057     -0.0047     -0.0238                                   
                                   48      H             0.3195     -0.1762      0.3723                                   
                                   49      H            -0.0126      0.0212     -0.0135                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      12                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 267.88  cm**-1                                     
                                   Reduced mass:                       2.5904  amu                                        
                                   Force constant:                     0.1095  mdyne/A                                    
                                   IR intensity:                       7.1318  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0077     -0.0306      0.0084                                   
                                   2       O            -0.0971      0.0907     -0.0556                                   
                                   3       O             0.0027      0.0057      0.0193                                   
                                   4       C            -0.0025     -0.0043     -0.0608                                   
                                   5       C             0.0295     -0.0097     -0.0386                                   
                                   6       C             0.0223     -0.0530      0.0172                                   
                                   7       C             0.0346     -0.0392     -0.0503                                   
                                   8       C            -0.0350      0.0595     -0.0317                                   
                                   9       C             0.0308      0.0101     -0.0161                                   
                                   10      C            -0.0356     -0.0027      0.0305                                   
                                   11      C             0.0094     -0.0224      0.0398                                   
                                   12      C            -0.0154     -0.0508     -0.0364                                   
                                   13      C             0.0541     -0.0681      0.0167                                   
                                   14      C            -0.0044     -0.0131     -0.0076                                   
                                   15      C            -0.0502      0.0689      0.1667                                   
                                   16      C             0.0496     -0.0308     -0.0051                                   
                                   17      C            -0.0594      0.0017      0.0305                                   
                                   18      C             0.0313      0.0511      0.0550                                   
                                   19      C             0.0202     -0.0112     -0.1028                                   
                                   20      C             0.0310      0.0339      0.0100                                   
                                   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             0.0483      0.0058     -0.0358                                   
                                   25      H             0.0639     -0.0642      0.0493                                   
                                   26      H             0.0628     -0.0344     -0.0757                                   
                                   27      H             0.0655     -0.0519     -0.0560                                   
                                   28      H            -0.0573      0.1292      0.0142                                   
                                   29      H            -0.0386      0.0835     -0.1097                                   
                                   30      H             0.1048     -0.0994      0.0559                                   
                                   31      H            -0.0029     -0.0078      0.0618                                   
                                   32      H            -0.0719     -0.1095     -0.0114                                   
                                   33      H            -0.0591     -0.0083     -0.0897                                   
                                   34      H             0.1108     -0.1056     -0.0104                                   
                                   35      H             0.0716     -0.0445      0.0808                                   
                                   36      H            -0.0862     -0.1091     -0.0015                                   
                                   37      H            -0.1616      0.2568      0.1559                                   
                                   38      H            -0.0342      0.0058      0.3882                                   
                                   39      H             0.0075      0.2520     -0.0578                                   
                                   40      H            -0.1749     -0.2136      0.0723                                   
                                   41      H             0.3304     -0.1432     -0.0151                                   
                                   42      H            -0.0341     -0.0353      0.0362                                   
                                   43      H            -0.0370     -0.0135      0.0030                                   
                                   44      H             0.0319      0.1020      0.1719                                   
                                   45      H             0.0963     -0.1203      0.0915                                   
                                   46      H             0.0327      0.0666      0.0862                                   
                                   47      H            -0.0055      0.0025     -0.0283                                   
                                   48      H            -0.0728      0.0829      0.0652                                   
                                   49      H            -0.0325      0.0267      0.1347                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      13                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 271.09  cm**-1                                     
                                   Reduced mass:                       2.8839  amu                                        
                                   Force constant:                     0.1249  mdyne/A                                    
                                   IR intensity:                       7.9097  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0526      0.0559      0.0946                                   
                                   2       O             0.0711     -0.0851      0.0598                                   
                                   3       O             0.0070     -0.0059     -0.0262                                   
                                   4       C            -0.0056      0.0171     -0.0717                                   
                                   5       C            -0.0265      0.0430     -0.0563                                   
                                   6       C             0.0060      0.0164     -0.0645                                   
                                   7       C            -0.0077      0.0108     -0.0765                                   
                                   8       C            -0.0222     -0.0986     -0.0428                                   
                                   9       C            -0.0093     -0.0164     -0.0825                                   
                                   10      C             0.0056     -0.0222     -0.0498                                   
                                   11      C             0.0293      0.0174      0.0140                                   
                                   12      C             0.0934      0.0943      0.1221                                   
                                   13      C            -0.0038      0.0219      0.0353                                   
                                   14      C             0.0003     -0.0239     -0.0142                                   
                                   15      C            -0.0305      0.0469      0.1275                                   
                                   16      C            -0.0513     -0.1111     -0.0662                                   
                                   17      C             0.0146     -0.0324     -0.0442                                   
                                   18      C             0.0106      0.0183      0.0060                                   
                                   19      C            -0.0042      0.0108     -0.0072                                   
                                   20      C             0.0114      0.0323      0.0445                                   
                                   21      C             0.0057      0.0045     -0.0200                                   
                                   22      C            -0.0158      0.0133      0.0238                                   
                                   23      C            -0.0070      0.0009      0.0050                                   
                                   24      H            -0.0914      0.1155     -0.0612                                   
                                   25      H            -0.0035     -0.0161     -0.0729                                   
                                   26      H            -0.0208     -0.0174     -0.0586                                   
                                   27      H            -0.0301      0.0149     -0.1013                                   
                                   28      H            -0.0673     -0.1737     -0.0994                                   
                                   29      H            -0.0024     -0.1352      0.0678                                   
                                   30      H             0.1210     -0.0185      0.0272                                   
                                   31      H             0.0015      0.0279     -0.0003                                   
                                   32      H             0.1652      0.3334      0.1309                                   
                                   33      H             0.2003     -0.0230      0.3126                                   
                                   34      H            -0.0862     -0.0243      0.0925                                   
                                   35      H            -0.0065      0.0176      0.0120                                   
                                   36      H             0.0039     -0.1350     -0.0102                                   
                                   37      H            -0.1199      0.1908      0.1180                                   
                                   38      H            -0.0293     -0.0089      0.2969                                   
                                   39      H            -0.0510     -0.1690     -0.0214                                   
                                   40      H            -0.0255     -0.1113     -0.0154                                   
                                   41      H            -0.0953     -0.1311     -0.1271                                   
                                   42      H            -0.0401     -0.0109     -0.0335                                   
                                   43      H             0.0121     -0.0306     -0.0465                                   
                                   44      H             0.0192      0.0450      0.0532                                   
                                   45      H            -0.1552      0.2680     -0.0159                                   
                                   46      H             0.0145      0.0658      0.1244                                   
                                   47      H            -0.0288      0.0210      0.0531                                   
                                   48      H             0.0049     -0.0507     -0.0746                                   
                                   49      H            -0.0092     -0.0045      0.0079                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      14                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 271.46  cm**-1                                     
                                   Reduced mass:                       2.8602  amu                                        
                                   Force constant:                     0.1242  mdyne/A                                    
                                   IR intensity:                       4.2780  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0996     -0.0269     -0.0104                                   
                                   2       O            -0.0357      0.0414     -0.0284                                   
                                   3       O             0.0543     -0.0289     -0.0470                                   
                                   4       C            -0.0110     -0.0168      0.0420                                   
                                   5       C            -0.0215     -0.0249     -0.0410                                   
                                   6       C            -0.0169      0.0239      0.0237                                   
                                   7       C            -0.0832     -0.0481      0.0204                                   
                                   8       C             0.0145      0.0601     -0.0006                                   
                                   9       C            -0.0191      0.0024     -0.1001                                   
                                   10      C             0.0071      0.0400      0.0041                                   
                                   11      C            -0.0113     -0.0406      0.1018                                   
                                   12      C             0.0228     -0.0122      0.0329                                   
                                   13      C             0.0776     -0.0158      0.0763                                   
                                   14      C             0.0240      0.0191     -0.0410                                   
                                   15      C             0.0617     -0.0022     -0.0412                                   
                                   16      C            -0.1993     -0.0366     -0.0922                                   
                                   17      C            -0.0325      0.0009     -0.0070                                   
                                   18      C             0.0242      0.0084     -0.0512                                   
                                   19      C            -0.0027      0.0532      0.0593                                   
                                   20      C             0.0313      0.0343      0.0417                                   
                                   21      C             0.0342      0.0318      0.0322                                   
                                   22      C            -0.0293      0.0237      0.0598                                   
                                   23      C             0.0123     -0.0326     -0.0277                                   
                                   24      H            -0.1016     -0.0532     -0.0508                                   
                                   25      H            -0.0456      0.0462      0.0034                                   
                                   26      H            -0.1099     -0.1724      0.0850                                   
                                   27      H            -0.1654     -0.0358     -0.0836                                   
                                   28      H             0.0545      0.1119      0.0393                                   
                                   29      H            -0.0173      0.0878     -0.0702                                   
                                   30      H            -0.1050     -0.1514      0.0946                                   
                                   31      H             0.0257     -0.0152      0.2375                                   
                                   32      H            -0.0263      0.0306      0.0778                                   
                                   33      H             0.0567     -0.0323      0.0170                                   
                                   34      H             0.1194     -0.1081      0.0667                                   
                                   35      H             0.1268      0.0421      0.1476                                   
                                   36      H             0.0909     -0.0030     -0.0418                                   
                                   37      H             0.1833     -0.0521     -0.0301                                   
                                   38      H             0.0466      0.0192     -0.1375                                   
                                   39      H            -0.2661      0.1396      0.0378                                   
                                   40      H            -0.3834     -0.1641     -0.1074                                   
                                   41      H            -0.1050     -0.1310     -0.1850                                   
                                   42      H            -0.0323     -0.0432      0.0101                                   
                                   43      H            -0.0358     -0.0019     -0.0456                                   
                                   44      H             0.0427      0.0130     -0.0741                                   
                                   45      H             0.1588     -0.1349      0.0504                                   
                                   46      H             0.0306      0.0561      0.0884                                   
                                   47      H            -0.0702      0.0350      0.0951                                   
                                   48      H             0.0286      0.0092      0.1178                                   
                                   49      H             0.0164     -0.0755     -0.0781                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      15                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 294.51  cm**-1                                     
                                   Reduced mass:                       3.1302  amu                                        
                                   Force constant:                     0.1600  mdyne/A                                    
                                   IR intensity:                       8.9900  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0007     -0.0763     -0.0770                                   
                                   2       O            -0.0164      0.0356     -0.0366                                   
                                   3       O            -0.0106     -0.0101     -0.0853                                   
                                   4       C            -0.0015      0.0224      0.0010                                   
                                   5       C            -0.0123      0.0059     -0.0557                                   
                                   6       C            -0.0005     -0.0284      0.0391                                   
                                   7       C             0.0821      0.0733      0.0388                                   
                                   8       C            -0.0099      0.0206      0.0278                                   
                                   9       C             0.0025     -0.0270     -0.1091                                   
                                   10      C            -0.0096     -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     -0.0480     -0.0239                                   
                                   15      C            -0.0456     -0.0193      0.0151                                   
                                   16      C             0.1446     -0.0869     -0.1112                                   
                                   17      C             0.0495      0.0342      0.0655                                   
                                   18      C            -0.0056      0.0188     -0.0281                                   
                                   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            -0.0358      0.0329      0.1078                                   
                                   23      C            -0.0049      0.0014     -0.0584                                   
                                   24      H            -0.0485      0.0004     -0.0601                                   
                                   25      H             0.0281     -0.0328      0.0603                                   
                                   26      H             0.0996      0.2168     -0.0259                                   
                                   27      H             0.2005      0.0480      0.1525                                   
                                   28      H            -0.0292      0.0510      0.0471                                   
                                   29      H             0.0022      0.0286     -0.0084                                   
                                   30      H            -0.0486     -0.0315      0.0138                                   
                                   31      H            -0.0684      0.0162      0.0346                                   
                                   32      H             0.0127      0.0463     -0.0275                                   
                                   33      H            -0.0081     -0.0141      0.0291                                   
                                   34      H            -0.0485      0.0507     -0.0369                                   
                                   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             0.2050     -0.3182     -0.1786                                   
                                   40      H             0.3483      0.0348     -0.0423                                   
                                   41      H             0.0094     -0.0283     -0.1020                                   
                                   42      H             0.1218      0.1123      0.0085                                   
                                   43      H             0.0934      0.0257      0.1675                                   
                                   44      H            -0.0075      0.0332      0.0111                                   
                                   45      H             0.0939     -0.2420      0.0173                                   
                                   46      H             0.0288      0.1155      0.2909                                   
                                   47      H            -0.0437      0.0487      0.1734                                   
                                   48      H             0.0189      0.0126     -0.0246                                   
                                   49      H             0.0198     -0.0145     -0.1593                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      16                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 301.77  cm**-1                                     
                                   Reduced mass:                       2.9884  amu                                        
                                   Force constant:                     0.1603  mdyne/A                                    
                                   IR intensity:                       3.0066  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0280     -0.0551     -0.0173                                   
                                   2       O             0.0215      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      0.0573                                   
                                   11      C            -0.0189      0.0296     -0.0144                                   
                                   12      C            -0.0271      0.0330      0.0096                                   
                                   13      C            -0.1025      0.0232     -0.0328                                   
                                   14      C             0.0072     -0.0546     -0.0161                                   
                                   15      C            -0.0308     -0.0253      0.0158                                   
                                   16      C            -0.2216      0.0320     -0.0368                                   
                                   17      C             0.0957      0.0489      0.0725                                   
                                   18      C             0.0104     -0.0105      0.0615                                   
                                   19      C             0.0531     -0.0926     -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      0.0601                                   
                                   24      H            -0.0529      0.0500     -0.0450                                   
                                   25      H             0.0307     -0.0415      0.0659                                   
                                   26      H             0.0425      0.0770      0.0156                                   
                                   27      H             0.1062      0.0256      0.0426                                   
                                   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            -0.0244      0.0166      0.0749                                   
                                   34      H            -0.1815      0.1517     -0.0086                                   
                                   35      H            -0.1657     -0.0511     -0.1350                                   
                                   36      H            -0.0410     -0.0630     -0.0145                                   
                                   37      H            -0.0499      0.0118      0.0142                                   
                                   38      H            -0.0615     -0.0579      0.0503                                   
                                   39      H            -0.2367     -0.0702      0.1133                                   
                                   40      H            -0.1663      0.1219     -0.1947                                   
                                   41      H            -0.4000      0.1134     -0.0223                                   
                                   42      H             0.1867      0.1595     -0.0038                                   
                                   43      H             0.1388      0.0460      0.2117                                   
                                   44      H             0.0258      0.0611      0.2003                                   
                                   45      H             0.1092     -0.1727      0.0589                                   
                                   46      H             0.0120     -0.0130      0.0940                                   
                                   47      H             0.1684     -0.0266     -0.0148                                   
                                   48      H             0.0600     -0.0175     -0.0689                                   
                                   49      H             0.0428      0.1259      0.1429                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      17                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 319.21  cm**-1                                     
                                   Reduced mass:                       2.5695  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      0.0545     -0.0092                                   
                                   6       C            -0.0081     -0.0023      0.0281                                   
                                   7       C            -0.0189     -0.0118      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             0.0514      0.1037     -0.0162                                   
                                   12      C            -0.1078      0.0152     -0.0737                                   
                                   13      C            -0.0087      0.0020      0.0026                                   
                                   14      C             0.0084      0.0401      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            -0.0614     -0.0721      0.0697                                   
                                   27      H            -0.0374     -0.0206     -0.0670                                   
                                   28      H            -0.0050     -0.0439      0.0009                                   
                                   29      H             0.0343     -0.0213      0.0755                                   
                                   30      H             0.1279      0.2093     -0.0115                                   
                                   31      H             0.0470      0.0634     -0.1407                                   
                                   32      H            -0.1764     -0.1290     -0.0612                                   
                                   33      H            -0.1749      0.0888     -0.1866                                   
                                   34      H             0.0777     -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      0.0653                                   
                                   38      H            -0.0010      0.0502      0.1473                                   
                                   39      H            -0.0138     -0.4060      0.0882                                   
                                   40      H             0.0720     -0.1816      0.1645                                   
                                   41      H            -0.1668     -0.2664     -0.1323                                   
                                   42      H             0.0687      0.0472     -0.0035                                   
                                   43      H             0.0448      0.0171      0.0667                                   
                                   44      H            -0.0003     -0.0975     -0.2243                                   
                                   45      H             0.0522     -0.0846      0.0162                                   
                                   46      H            -0.0151     -0.1122     -0.2970                                   
                                   47      H            -0.0267     -0.0149     -0.0866                                   
                                   48      H             0.0417     -0.0083      0.0025                                   
                                   49      H             0.0034     -0.0602     -0.0323                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      18                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 333.41  cm**-1                                     
                                   Reduced mass:                       2.4192  amu                                        
                                   Force constant:                     0.1584  mdyne/A                                    
                                   IR intensity:                       2.8187  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     -0.0128      0.0167                                   
                                   4       C             0.0157     -0.0352     -0.0155                                   
                                   5       C             0.0456     -0.0399      0.0047                                   
                                   6       C             0.0273     -0.0335     -0.0257                                   
                                   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      0.0159                                   
                                   12      C             0.1555      0.0240      0.0116                                   
                                   13      C            -0.0348     -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      0.0709      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     -0.0610      0.0083                                   
                                   25      H             0.0685      0.0224      0.0105                                   
                                   26      H             0.0009     -0.0860     -0.0067                                   
                                   27      H            -0.0229     -0.0427     -0.0492                                   
                                   28      H            -0.0184      0.1369      0.0618                                   
                                   29      H             0.0032      0.0612     -0.1312                                   
                                   30      H             0.0422     -0.0774      0.0178                                   
                                   31      H             0.0657     -0.0384      0.0522                                   
                                   32      H             0.3317      0.2678     -0.0500                                   
                                   33      H             0.2572     -0.1023      0.2593                                   
                                   34      H            -0.1827      0.1259     -0.0728                                   
                                   35      H            -0.0882     -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     -0.1269      0.1001                                   
                                   40      H             0.0427      0.0431      0.0456                                   
                                   41      H            -0.1514      0.0146      0.0298                                   
                                   42      H             0.0741      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     -0.1753                                   
                                   47      H            -0.1344      0.0131     -0.0547                                   
                                   48      H            -0.0946      0.0639     -0.0979                                   
                                   49      H            -0.0571     -0.0858     -0.0282                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      19                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 357.09  cm**-1                                     
                                   Reduced mass:                       2.8193  amu                                        
                                   Force constant:                     0.2118  mdyne/A                                    
                                   IR intensity:                       0.5147  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      0.0434     -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            -0.0966      0.0171      0.0754                                   
                                   14      C             0.0056      0.0029      0.0118                                   
                                   15      C             0.1111     -0.0520     -0.0010                                   
                                   16      C            -0.0197     -0.0275      0.0209                                   
                                   17      C            -0.0757      0.0222     -0.0000                                   
                                   18      C            -0.0192     -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             0.0798     -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            -0.0363     -0.0184     -0.0136                                   
                                   30      H             0.0152     -0.3394      0.0918                                   
                                   31      H             0.0395     -0.0089      0.3037                                   
                                   32      H            -0.1627     -0.0660      0.0737                                   
                                   33      H            -0.1411      0.0310     -0.0107                                   
                                   34      H            -0.1282      0.0797      0.0819                                   
                                   35      H            -0.1572     -0.0504      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      0.0349      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:                       4.3523  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.1199     -0.0084     -0.1746                                   
                                   2       O            -0.0760      0.0193      0.0034                                   
                                   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      0.0448     -0.0059                                   
                                   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            -0.0975     -0.0875     -0.0077                                   
                                   18      C            -0.0165      0.0028      0.0223                                   
                                   19      C            -0.0219     -0.0142      0.0035                                   
                                   20      C            -0.0238     -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             0.0944      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      0.2142                                   
                                   30      H             0.0659      0.1193     -0.0112                                   
                                   31      H             0.0064      0.0446     -0.0865                                   
                                   32      H             0.0869      0.1089      0.0329                                   
                                   33      H             0.1455      0.0180      0.0324                                   
                                   34      H             0.2327     -0.1278      0.0044                                   
                                   35      H             0.2293      0.0569      0.1203                                   
                                   36      H            -0.0141     -0.0121      0.0196                                   
                                   37      H             0.0341     -0.0615      0.0105                                   
                                   38      H             0.0229     -0.0139     -0.0292                                   
                                   39      H            -0.1045     -0.0980      0.0885                                   
                                   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            -0.0765      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:                       3.4490  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0342     -0.1178      0.0148                                   
                                   2       O            -0.0129      0.0389     -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     -0.1369     -0.0314                                   
                                   9       C            -0.0196      0.0293      0.0356                                   
                                   10      C            -0.0451     -0.0695     -0.0413                                   
                                   11      C            -0.0571      0.0014      0.0527                                   
                                   12      C             0.0221      0.0584     -0.0005                                   
                                   13      C             0.0911     -0.0058      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     -0.0317                                   
                                   21      C             0.0006     -0.0236      0.0131                                   
                                   22      C             0.0415     -0.0111     -0.0024                                   
                                   23      C             0.0286      0.0117     -0.0000                                   
                                   24      H             0.0103      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     -0.2859     -0.1376                                   
                                   29      H            -0.0174     -0.2030      0.1615                                   
                                   30      H            -0.1311     -0.1488      0.0497                                   
                                   31      H            -0.0465      0.0482      0.2097                                   
                                   32      H            -0.0072      0.0904      0.0272                                   
                                   33      H             0.0436      0.0402      0.0128                                   
                                   34      H             0.2003     -0.2355      0.0109                                   
                                   35      H             0.1936      0.1153      0.2367                                   
                                   36      H            -0.0039      0.0871      0.0062                                   
                                   37      H             0.0645     -0.0391     -0.0396                                   
                                   38      H            -0.0262      0.0401     -0.1327                                   
                                   39      H             0.0367      0.0434     -0.0131                                   
                                   40      H             0.0276      0.0076      0.0851                                   
                                   41      H             0.0819      0.0048      0.0532                                   
                                   42      H             0.0649      0.2753     -0.0651                                   
                                   43      H             0.1326      0.0308      0.2711                                   
                                   44      H             0.0248      0.0264      0.0169                                   
                                   45      H             0.1777     -0.2265      0.1273                                   
                                   46      H             0.0133     -0.0737     -0.0841                                   
                                   47      H             0.0742     -0.0170     -0.0146                                   
                                   48      H            -0.0281      0.0434     -0.0725                                   
                                   49      H             0.0342      0.0291     -0.0048                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      22                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 381.43  cm**-1                                     
                                   Reduced mass:                       2.7142  amu                                        
                                   Force constant:                     0.2327  mdyne/A                                    
                                   IR intensity:                       3.4784  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.1343      0.0102      0.0371                                   
                                   2       O             0.1000     -0.0599     -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             0.0083     -0.0512      0.0227                                   
                                   7       C             0.0273     -0.0053     -0.0322                                   
                                   8       C            -0.0035      0.1391     -0.0304                                   
                                   9       C             0.0188      0.0507      0.0100                                   
                                   10      C            -0.0141     -0.0611      0.0400                                   
                                   11      C            -0.1096     -0.0357      0.1004                                   
                                   12      C            -0.0069      0.0154     -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            -0.0141     -0.0203      0.0472                                   
                                   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             0.0468     -0.0401      0.0507                                   
                                   26      H             0.0283     -0.0357     -0.0253                                   
                                   27      H             0.0578     -0.0274     -0.0862                                   
                                   28      H            -0.0532      0.3677      0.1205                                   
                                   29      H             0.0665      0.2014     -0.2897                                   
                                   30      H            -0.2222     -0.3019      0.0982                                   
                                   31      H            -0.1330      0.0690      0.3689                                   
                                   32      H            -0.0247      0.0091     -0.0299                                   
                                   33      H            -0.0475      0.0420     -0.0289                                   
                                   34      H             0.0943     -0.0988     -0.0402                                   
                                   35      H             0.0446     -0.0449      0.0612                                   
                                   36      H             0.0014      0.0437      0.0034                                   
                                   37      H             0.0666     -0.0656     -0.0304                                   
                                   38      H            -0.0576      0.0235     -0.1408                                   
                                   39      H            -0.0144     -0.0769      0.0626                                   
                                   40      H             0.0062     -0.0248      0.0629                                   
                                   41      H            -0.0540     -0.0545     -0.0422                                   
                                   42      H             0.0560     -0.1178     -0.0001                                   
                                   43      H             0.0834     -0.0960     -0.0570                                   
                                   44      H             0.0468      0.0341     -0.0362                                   
                                   45      H            -0.1730      0.1348     -0.0166                                   
                                   46      H             0.0829     -0.0829     -0.1199                                   
                                   47      H             0.0725     -0.0083     -0.0153                                   
                                   48      H             0.0013     -0.0038     -0.1298                                   
                                   49      H             0.0324      0.0412     -0.0565                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      23                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 416.84  cm**-1                                     
                                   Reduced mass:                       3.9116  amu                                        
                                   Force constant:                     0.4004  mdyne/A                                    
                                   IR intensity:                       1.4653  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             0.0133      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     -0.0502      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     -0.0475                                   
                                   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      0.0274      0.0060                                   
                                   44      H             0.0326      0.2022      0.0982                                   
                                   45      H             0.0789      0.0287      0.0577                                   
                                   46      H             0.1484     -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:                 434.15  cm**-1                                     
                                   Reduced mass:                       2.4451  amu                                        
                                   Force constant:                     0.2715  mdyne/A                                    
                                   IR intensity:                       5.8720  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      0.0604      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             0.1018      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      0.0122      0.0306                                   
                                   27      H            -0.0093      0.0056     -0.0727                                   
                                   28      H             0.0326      0.1914      0.0602                                   
                                   29      H             0.1289      0.0879     -0.1870                                   
                                   30      H             0.1749      0.2102      0.0347                                   
                                   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      0.0973     -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:                       2.5921  amu                                        
                                   Force constant:                     0.3056  mdyne/A                                    
                                   IR intensity:                       4.5621  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      0.0049                                   
                                   4       C             0.0311      0.0606     -0.0127                                   
                                   5       C             0.0143      0.0989      0.0071                                   
                                   6       C             0.0446     -0.0094      0.0225                                   
                                   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            -0.0559     -0.0181      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            -0.0405     -0.1695      0.0238                                   
                                   16      C             0.0252      0.0072      0.0118                                   
                                   17      C             0.0018      0.0018      0.0281                                   
                                   18      C             0.0927     -0.0187     -0.0281                                   
                                   19      C            -0.0257      0.0426     -0.0232                                   
                                   20      C             0.0899      0.0713      0.0017                                   
                                   21      C             0.0207      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            -0.1834     -0.0822     -0.2961                                   
                                   28      H            -0.0574     -0.2323     -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     -0.0406                                   
                                   33      H            -0.0670      0.1257     -0.0273                                   
                                   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             0.0019     -0.3326      0.0256                                   
                                   38      H            -0.0715     -0.1340     -0.1428                                   
                                   39      H             0.0102      0.0489      0.0343                                   
                                   40      H            -0.0265     -0.0324      0.0220                                   
                                   41      H             0.0440     -0.0290     -0.0295                                   
                                   42      H             0.0188     -0.0336      0.0342                                   
                                   43      H            -0.0213      0.0082      0.0031                                   
                                   44      H             0.0552     -0.0419     -0.0249                                   
                                   45      H            -0.1120     -0.0143     -0.1069                                   
                                   46      H             0.0842      0.0836      0.0275                                   
                                   47      H            -0.0547      0.0438     -0.0454                                   
                                   48      H             0.1392     -0.0814      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:                       9.2932  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0224     -0.0278     -0.0579                                   
                                   2       O             0.0173     -0.0159     -0.0358                                   
                                   3       O             0.0563     -0.0269     -0.0135                                   
                                   4       C            -0.0485      0.0083     -0.0399                                   
                                   5       C            -0.0792      0.0186     -0.0190                                   
                                   6       C             0.0544      0.0233      0.0503                                   
                                   7       C            -0.0133     -0.0537     -0.0409                                   
                                   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             0.0319      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            -0.1085     -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      0.0893                                   
                                   26      H             0.0515     -0.2158     -0.0453                                   
                                   27      H            -0.1243     -0.0282     -0.1347                                   
                                   28      H            -0.1060      0.0839      0.0348                                   
                                   29      H            -0.0860      0.0452     -0.0513                                   
                                   30      H             0.0174     -0.0644      0.0509                                   
                                   31      H             0.0697      0.0429      0.1370                                   
                                   32      H             0.0266      0.1739     -0.0338                                   
                                   33      H             0.0616      0.0372      0.0137                                   
                                   34      H             0.0572      0.0868     -0.0471                                   
                                   35      H            -0.0140      0.0184      0.0075                                   
                                   36      H             0.0095      0.0761     -0.0337                                   
                                   37      H             0.1214      0.1114      0.0046                                   
                                   38      H             0.0347      0.0488      0.0016                                   
                                   39      H             0.0716      0.0935     -0.1368                                   
                                   40      H             0.0472      0.0193      0.0292                                   
                                   41      H             0.1545      0.0559      0.1199                                   
                                   42      H             0.0706     -0.0943      0.0388                                   
                                   43      H             0.0268     -0.0314     -0.0119                                   
                                   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      0.4012                                   
                                   49      H             0.0214     -0.0324      0.0592                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      27                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 475.53  cm**-1                                     
                                   Reduced mass:                       1.4138  amu                                        
                                   Force constant:                     0.1884  mdyne/A                                    
                                   IR intensity:                      16.0117  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             0.0350     -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      0.0186      0.0074                                   
                                   19      C            -0.0083     -0.0025      0.0123                                   
                                   20      C             0.0081      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             0.0423      0.0273     -0.0668                                   
                                   30      H             0.0582      0.0887      0.0029                                   
                                   31      H             0.0185      0.0130     -0.0639                                   
                                   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            -0.0169     -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             0.0181     -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     -0.0445                                   
                                   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      0.2115     -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            -0.0048      0.0300      0.1220                                   
                                   48      H            -0.0055     -0.0022      0.0491                                   
                                   49      H            -0.0054      0.0275      0.0581                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      29                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 523.94  cm**-1                                     
                                   Reduced mass:                       3.4463  amu                                        
                                   Force constant:                     0.5574  mdyne/A                                    
                                   IR intensity:                       2.6245  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     -0.0827                                   
                                   4       C             0.0314     -0.0375     -0.0683                                   
                                   5       C             0.0755     -0.0177      0.0809                                   
                                   6       C            -0.0101      0.1139      0.0106                                   
                                   7       C            -0.0307      0.0629     -0.0865                                   
                                   8       C            -0.0245     -0.0075     -0.0086                                   
                                   9       C             0.0849      0.0267      0.0544                                   
                                   10      C            -0.0308     -0.0435      0.0454                                   
                                   11      C             0.0617     -0.0683     -0.0449                                   
                                   12      C            -0.0074     -0.0576      0.0458                                   
                                   13      C            -0.0071      0.1468      0.0768                                   
                                   14      C            -0.0008      0.0204     -0.0440                                   
                                   15      C             0.0348      0.0420     -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      0.1096                                   
                                   21      C            -0.0618     -0.0288      0.0354                                   
                                   22      C            -0.0116     -0.0054      0.0367                                   
                                   23      C            -0.0388      0.0444      0.0041                                   
                                   24      H             0.0951      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     -0.1123                                   
                                   28      H            -0.0867      0.0335      0.0121                                   
                                   29      H            -0.0174      0.0024     -0.0448                                   
                                   30      H             0.0772     -0.1081     -0.0395                                   
                                   31      H             0.0911     -0.0706     -0.0050                                   
                                   32      H            -0.1005     -0.3130      0.0426                                   
                                   33      H            -0.0629      0.0407     -0.2202                                   
                                   34      H            -0.0445      0.1459      0.0962                                   
                                   35      H             0.0375      0.1869     -0.0028                                   
                                   36      H            -0.0673      0.0761     -0.0431                                   
                                   37      H            -0.0237      0.1483     -0.0089                                   
                                   38      H             0.1010      0.0450      0.1221                                   
                                   39      H            -0.0782     -0.0345      0.2552                                   
                                   40      H            -0.0905     -0.0399      0.0401                                   
                                   41      H            -0.1343     -0.0510     -0.0169                                   
                                   42      H             0.0597      0.0281      0.0035                                   
                                   43      H             0.0781     -0.0448      0.1053                                   
                                   44      H             0.0486     -0.1409     -0.3560                                   
                                   45      H            -0.1004     -0.1212     -0.0324                                   
                                   46      H             0.1555     -0.0072      0.1139                                   
                                   47      H             0.0277      0.0091      0.1116                                   
                                   48      H             0.0355     -0.0102      0.0439                                   
                                   49      H            -0.0307      0.0975      0.0204                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      30                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 527.58  cm**-1                                     
                                   Reduced mass:                       2.8355  amu                                        
                                   Force constant:                     0.4650  mdyne/A                                    
                                   IR intensity:                       3.9731  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      0.0441                                   
                                   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     -0.0024                                   
                                   18      C            -0.0208     -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            -0.0839      0.0057     -0.2516                                   
                                   28      H            -0.1208     -0.1674     -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     -0.2480      0.0184                                   
                                   33      H            -0.0967      0.0242     -0.0747                                   
                                   34      H            -0.1104      0.0962      0.0538                                   
                                   35      H            -0.0230      0.0041     -0.1241                                   
                                   36      H             0.1396     -0.0633     -0.1120                                   
                                   37      H             0.0230      0.2305     -0.0130                                   
                                   38      H            -0.1020     -0.0846      0.1192                                   
                                   39      H            -0.0350      0.1707      0.0375                                   
                                   40      H            -0.0831      0.0521     -0.2767                                   
                                   41      H            -0.0046      0.1432      0.1423                                   
                                   42      H             0.0261     -0.0317      0.0066                                   
                                   43      H             0.0109     -0.0048     -0.0269                                   
                                   44      H            -0.1095     -0.0567      0.2323                                   
                                   45      H             0.0352     -0.0935      0.0217                                   
                                   46      H            -0.1006     -0.0020     -0.1537                                   
                                   47      H            -0.1006      0.0092      0.0129                                   
                                   48      H            -0.0239      0.0116     -0.0941                                   
                                   49      H            -0.0075     -0.0658     -0.1682                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      31                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 561.01  cm**-1                                     
                                   Reduced mass:                       3.3221  amu                                        
                                   Force constant:                     0.6160  mdyne/A                                    
                                   IR intensity:                       3.4851  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      0.0948      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     -0.0816                                   
                                   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      0.0095      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             0.1965     -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     -0.0717     -0.0816                                   
                                   42      H             0.0153     -0.0869     -0.0033                                   
                                   43      H            -0.0173      0.0199     -0.1435                                   
                                   44      H            -0.0248      0.0386     -0.1067                                   
                                   45      H             0.0610     -0.1373      0.0124                                   
                                   46      H             0.0125      0.0387      0.0808                                   
                                   47      H             0.0192     -0.0595     -0.1014                                   
                                   48      H            -0.0155     -0.0024     -0.1881                                   
                                   49      H            -0.0434      0.0581      0.1850                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      32                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 592.24  cm**-1                                     
                                   Reduced mass:                       4.3267  amu                                        
                                   Force constant:                     0.8941  mdyne/A                                    
                                   IR intensity:                       2.4676  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             0.0826      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     -0.0623     -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      0.0244                                   
                                   15      C            -0.0711     -0.0016     -0.0337                                   
                                   16      C             0.0044     -0.0071     -0.0623                                   
                                   17      C             0.0006     -0.0249      0.0485                                   
                                   18      C            -0.1312      0.0913      0.0106                                   
                                   19      C             0.0270      0.0452      0.1432                                   
                                   20      C            -0.1291      0.0390     -0.0307                                   
                                   21      C            -0.0069      0.0621      0.0491                                   
                                   22      C             0.0622     -0.0792     -0.1774                                   
                                   23      C            -0.0186     -0.0066      0.2469                                   
                                   24      H             0.0302      0.0412      0.0327                                   
                                   25      H             0.0078      0.0060     -0.0540                                   
                                   26      H            -0.0663     -0.1192      0.0840                                   
                                   27      H            -0.1081      0.0265     -0.1415                                   
                                   28      H             0.1090     -0.0096      0.0063                                   
                                   29      H             0.1952     -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     -0.1109                                   
                                   34      H            -0.0556      0.0628      0.0590                                   
                                   35      H            -0.0025      0.0640     -0.0197                                   
                                   36      H             0.1838     -0.0504      0.0217                                   
                                   37      H            -0.1912      0.0555     -0.0412                                   
                                   38      H            -0.0557     -0.0319      0.0889                                   
                                   39      H            -0.0118     -0.0000     -0.0085                                   
                                   40      H            -0.0204     -0.0132     -0.0938                                   
                                   41      H            -0.0282     -0.0086     -0.0838                                   
                                   42      H             0.0087      0.0501      0.0136                                   
                                   43      H             0.0258     -0.0268      0.1147                                   
                                   44      H            -0.1710      0.0630      0.0250                                   
                                   45      H            -0.0254      0.0675      0.0079                                   
                                   46      H            -0.1584      0.0277     -0.1045                                   
                                   47      H             0.0243     -0.1050     -0.3057                                   
                                   48      H            -0.0088      0.0134      0.1052                                   
                                   49      H            -0.0476      0.0194      0.3723                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      33                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 604.83  cm**-1                                     
                                   Reduced mass:                       5.2629  amu                                        
                                   Force constant:                     1.1343  mdyne/A                                    
                                   IR intensity:                       1.0875  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     -0.1940                                   
                                   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            -0.0674      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      0.0553     -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             0.1916     -0.1623      0.1209                                   
                                   19      C            -0.1167      0.0445      0.1287                                   
                                   20      C             0.1789     -0.1040      0.0024                                   
                                   21      C            -0.0240     -0.0140      0.1391                                   
                                   22      C            -0.0461      0.0301     -0.1883                                   
                                   23      C            -0.1282      0.1427      0.1537                                   
                                   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      0.0141                                   
                                   29      H            -0.1186      0.0283     -0.0652                                   
                                   30      H             0.0694      0.0675      0.0281                                   
                                   31      H             0.1060     -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     -0.0448                                   
                                   35      H            -0.0204     -0.0487      0.0590                                   
                                   36      H             0.0671      0.0318     -0.0949                                   
                                   37      H             0.1200      0.2006     -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      0.1088                                   
                                   45      H             0.0144     -0.0183     -0.0068                                   
                                   46      H             0.1982     -0.1497     -0.0527                                   
                                   47      H             0.0412     -0.0043     -0.3111                                   
                                   48      H             0.0063     -0.0077     -0.0453                                   
                                   49      H            -0.1517      0.1413      0.2313                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      34                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 628.27  cm**-1                                     
                                   Reduced mass:                       3.5925  amu                                        
                                   Force constant:                     0.8355  mdyne/A                                    
                                   IR intensity:                       2.8257  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      0.0282      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      0.0275      0.0516                                   
                                   19      C             0.0101     -0.0181     -0.1080                                   
                                   20      C            -0.0321     -0.0368     -0.0014                                   
                                   21      C            -0.0064      0.0293      0.1456                                   
                                   22      C             0.0059      0.0275      0.0320                                   
                                   23      C             0.0264     -0.0002      0.0203                                   
                                   24      H             0.0354      0.0726     -0.1037                                   
                                   25      H            -0.0593     -0.0049      0.0718                                   
                                   26      H            -0.1721      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     -0.2167     -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            -0.1883      0.1287     -0.0126                                   
                                   38      H             0.1576     -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     -0.1821                                   
                                   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:                       4.4942  amu                                        
                                   Force constant:                     1.0870  mdyne/A                                    
                                   IR intensity:                       0.9999  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     -0.0867                                   
                                   9       C             0.0750      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            -0.0787      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     -0.0560                                   
                                   29      H            -0.1744     -0.0053     -0.1168                                   
                                   30      H             0.0990      0.1936      0.0586                                   
                                   31      H            -0.0341      0.0068     -0.1342                                   
                                   32      H            -0.0136     -0.0233     -0.0331                                   
                                   33      H            -0.0387      0.0995     -0.0689                                   
                                   34      H             0.0247      0.0542     -0.0228                                   
                                   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            -0.0910      0.0250     -0.0066                                   
                                   42      H            -0.0146     -0.0061     -0.0163                                   
                                   43      H            -0.0136      0.0163     -0.0525                                   
                                   44      H            -0.0931      0.0159     -0.2456                                   
                                   45      H             0.0018     -0.0254     -0.0151                                   
                                   46      H             0.0680     -0.0843     -0.3364                                   
                                   47      H            -0.0253     -0.0080      0.1159                                   
                                   48      H             0.0131     -0.0102     -0.0421                                   
                                   49      H             0.0162      0.0223      0.1206                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      36                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 654.46  cm**-1                                     
                                   Reduced mass:                       3.9097  amu                                        
                                   Force constant:                     0.9867  mdyne/A                                    
                                   IR intensity:                       5.7872  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     -0.0769                                   
                                   9       C            -0.0890      0.0285     -0.0111                                   
                                   10      C             0.1093     -0.0567     -0.0062                                   
                                   11      C            -0.0233      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      0.0252                                   
                                   16      C             0.0169      0.0121     -0.0381                                   
                                   17      C             0.0472     -0.0965      0.1430                                   
                                   18      C             0.0191     -0.0008      0.0859                                   
                                   19      C            -0.0242     -0.0188     -0.1512                                   
                                   20      C             0.0185     -0.1197      0.0070                                   
                                   21      C             0.0140      0.0016      0.1679                                   
                                   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     -0.1822     -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:                      11.5038  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0392      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     -0.0362                                   
                                   27      H            -0.0339      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      0.2187                                   
                                   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     -0.1304      0.0161                                   
                                   44      H            -0.0763     -0.0586     -0.0703                                   
                                   45      H             0.0921      0.1319     -0.0091                                   
                                   46      H             0.0152      0.0916     -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:                       2.6425  amu                                        
                                   Force constant:                     0.8627  mdyne/A                                    
                                   IR intensity:                       7.3250  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      0.0223                                   
                                   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     -0.0309                                   
                                   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            -0.0998     -0.0105      0.1597                                   
                                   30      H             0.0495     -0.0670     -0.0129                                   
                                   31      H             0.0063     -0.0335     -0.0137                                   
                                   32      H             0.0571     -0.1875     -0.0625                                   
                                   33      H            -0.1343      0.1593     -0.0460                                   
                                   34      H             0.0383     -0.1610     -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            -0.1159      0.0008      0.3345                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      39                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 749.04  cm**-1                                     
                                   Reduced mass:                       1.3390  amu                                        
                                   Force constant:                     0.4426  mdyne/A                                    
                                   IR intensity:                       7.9179  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     -0.0417                                   
                                   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      0.0027     -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     -0.0359      0.0283                                   
                                   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             0.0191     -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      0.0136     -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     -0.0158      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:                       2.7949  amu                                        
                                   Force constant:                     0.9975  mdyne/A                                    
                                   IR intensity:                       3.3125  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      0.0280                                   
                                   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      0.0741      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            -0.0104      0.0215     -0.0056                                   
                                   22      C            -0.0114     -0.0535      0.0117                                   
                                   23      C            -0.0574      0.0152      0.0057                                   
                                   24      H             0.0233      0.0295      0.0245                                   
                                   25      H            -0.0473      0.0248     -0.0348                                   
                                   26      H            -0.0337      0.0721      0.0152                                   
                                   27      H             0.0202     -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      0.1772                                   
                                   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            -0.1323     -0.1599     -0.0291                                   
                                   38      H             0.0983      0.1943     -0.1285                                   
                                   39      H             0.0070     -0.0045     -0.2285                                   
                                   40      H             0.0000     -0.0189     -0.2107                                   
                                   41      H             0.0391     -0.0137     -0.1375                                   
                                   42      H             0.0178     -0.0276      0.0209                                   
                                   43      H             0.0065     -0.0128      0.0054                                   
                                   44      H            -0.0577     -0.3375     -0.3142                                   
                                   45      H             0.0047      0.0082     -0.0024                                   
                                   46      H            -0.0808     -0.0737     -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:                       1.9034  amu                                        
                                   Force constant:                     0.6811  mdyne/A                                    
                                   IR intensity:                       6.1774  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            -0.0224     -0.0015     -0.0008                                   
                                   28      H             0.0354      0.0262      0.0249                                   
                                   29      H             0.0214      0.0000     -0.0521                                   
                                   30      H            -0.0846     -0.0845     -0.0249                                   
                                   31      H             0.0425      0.0153      0.1004                                   
                                   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             0.0016      0.0431      0.0786                                   
                                   37      H            -0.0872     -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      0.4469                                   
                                   47      H            -0.0422     -0.0369     -0.0235                                   
                                   48      H             0.0004     -0.0011      0.0035                                   
                                   49      H             0.0408     -0.0452     -0.2966                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      42                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 789.81  cm**-1                                     
                                   Reduced mass:                       3.0161  amu                                        
                                   Force constant:                     1.1085  mdyne/A                                    
                                   IR intensity:                       2.6436  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             0.0077     -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      0.0422                                   
                                   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      0.0281     -0.0306                                   
                                   45      H             0.0099      0.0383      0.0072                                   
                                   46      H            -0.0325     -0.0911      0.0089                                   
                                   47      H            -0.0244      0.0210      0.0185                                   
                                   48      H             0.0129     -0.0101     -0.0092                                   
                                   49      H            -0.0440     -0.0487      0.0152                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      43                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 819.16  cm**-1                                     
                                   Reduced mass:                       2.9631  amu                                        
                                   Force constant:                     1.1715  mdyne/A                                    
                                   IR intensity:                       6.2886  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     -0.0531      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      0.1519     -0.1923                                   
                                   34      H            -0.1995      0.1023      0.1031                                   
                                   35      H             0.0015     -0.1159     -0.2861                                   
                                   36      H            -0.1935      0.1046     -0.0371                                   
                                   37      H             0.0623      0.0405      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      0.0114                                   
                                   44      H            -0.0748     -0.0566      0.2436                                   
                                   45      H            -0.0108     -0.0088     -0.0090                                   
                                   46      H            -0.0754      0.2594      0.0266                                   
                                   47      H             0.1620     -0.0308     -0.2679                                   
                                   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:                       1.4856  amu                                        
                                   Force constant:                     0.6065  mdyne/A                                    
                                   IR intensity:                       8.9462  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     -0.0080                                   
                                   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     -0.0143     -0.0039                                   
                                   15      C             0.0153     -0.0175     -0.0060                                   
                                   16      C            -0.0023      0.0064      0.0374                                   
                                   17      C             0.0145     -0.0261      0.0334                                   
                                   18      C             0.0037      0.0095     -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            -0.0577      0.0226     -0.0365                                   
                                   25      H            -0.0071      0.0340     -0.1197                                   
                                   26      H            -0.0658      0.0321      0.0564                                   
                                   27      H            -0.0081     -0.0069      0.0093                                   
                                   28      H            -0.0444      0.0288      0.0519                                   
                                   29      H            -0.0529      0.0300      0.0364                                   
                                   30      H            -0.0349     -0.0232     -0.0050                                   
                                   31      H            -0.0019      0.0229      0.0383                                   
                                   32      H            -0.0951     -0.1035      0.0767                                   
                                   33      H            -0.0282      0.0386     -0.0881                                   
                                   34      H            -0.1204      0.0084      0.0738                                   
                                   35      H            -0.0201     -0.0559     -0.1003                                   
                                   36      H             0.0424     -0.0146     -0.0042                                   
                                   37      H            -0.0359      0.0501     -0.0082                                   
                                   38      H             0.0014     -0.0486      0.0650                                   
                                   39      H             0.0174     -0.0094     -0.0270                                   
                                   40      H             0.0256      0.0114      0.0770                                   
                                   41      H             0.0262      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      0.0190                                   
                                   45      H             0.0015     -0.0066     -0.0091                                   
                                   46      H             0.0266      0.0124      0.0526                                   
                                   47      H            -0.1950      0.2014      0.8544                                   
                                   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:                       2.2240  amu                                        
                                   Force constant:                     0.9118  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      0.0441     -0.0196                                   
                                   4       C             0.0004      0.0045      0.0272                                   
                                   5       C            -0.0318      0.0056     -0.0669                                   
                                   6       C             0.0526     -0.0012     -0.1734                                   
                                   7       C             0.0063     -0.0219      0.0223                                   
                                   8       C            -0.0732      0.0371      0.0881                                   
                                   9       C            -0.0236      0.0136     -0.0147                                   
                                   10      C            -0.0184      0.0094     -0.0085                                   
                                   11      C            -0.0028      0.0169     -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     -0.0282     -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             0.0275     -0.0025     -0.0158                                   
                                   22      C            -0.0602     -0.0190      0.0971                                   
                                   23      C            -0.0758      0.0214     -0.0220                                   
                                   24      H            -0.0891      0.0189     -0.0691                                   
                                   25      H            -0.0102      0.0415     -0.2057                                   
                                   26      H            -0.1076      0.0383      0.1053                                   
                                   27      H            -0.0217     -0.0108      0.0144                                   
                                   28      H            -0.0712      0.0590      0.1011                                   
                                   29      H            -0.0943      0.0521      0.0479                                   
                                   30      H            -0.0906     -0.0615     -0.0168                                   
                                   31      H             0.0036      0.0462      0.0942                                   
                                   32      H            -0.1515     -0.1351      0.1182                                   
                                   33      H            -0.0355      0.0492     -0.1282                                   
                                   34      H            -0.1812     -0.0078      0.1171                                   
                                   35      H            -0.0412     -0.0761     -0.1161                                   
                                   36      H             0.1051     -0.0388      0.0188                                   
                                   37      H            -0.0834      0.0543     -0.0160                                   
                                   38      H            -0.0314     -0.1009      0.1075                                   
                                   39      H             0.0261     -0.0188     -0.0287                                   
                                   40      H             0.0391      0.0149      0.1313                                   
                                   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     -0.0709      0.0043                                   
                                   47      H             0.1119     -0.2021     -0.6617                                   
                                   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:                     0.9267  mdyne/A                                    
                                   IR intensity:                       1.8709  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     -0.0258                                   
                                   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      0.0443     -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      0.0511                                   
                                   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            -0.0431      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     -0.0671                                   
                                   42      H             0.0068      0.0015     -0.0018                                   
                                   43      H             0.0079     -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:                       1.9071  amu                                        
                                   Force constant:                     0.8775  mdyne/A                                    
                                   IR intensity:                       2.0277  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            -0.0077     -0.0216     -0.0169                                   
                                   6       C            -0.0646     -0.0438      0.0225                                   
                                   7       C            -0.0488     -0.0470     -0.0984                                   
                                   8       C             0.0977      0.0609      0.0434                                   
                                   9       C            -0.0237     -0.0232     -0.0098                                   
                                   10      C            -0.0025      0.0228     -0.0085                                   
                                   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      0.0288                                   
                                   19      C             0.0291     -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            -0.0238     -0.0796     -0.0207                                   
                                   25      H            -0.0333     -0.0821      0.0380                                   
                                   26      H             0.0545      0.2431     -0.2791                                   
                                   27      H             0.1998     -0.0926      0.1345                                   
                                   28      H             0.1253     -0.1232     -0.0761                                   
                                   29      H             0.0733      0.0053      0.2229                                   
                                   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      0.1215     -0.1919                                   
                                   34      H            -0.0905      0.1255      0.0818                                   
                                   35      H            -0.0423     -0.0414     -0.0711                                   
                                   36      H             0.0457      0.0054     -0.0199                                   
                                   37      H             0.1605     -0.0499      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      0.0520                                   
                                   44      H            -0.0058     -0.1093     -0.2728                                   
                                   45      H            -0.0033      0.0311      0.0097                                   
                                   46      H             0.0206      0.2022      0.4104                                   
                                   47      H             0.0659     -0.0711      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:                       1.3866  amu                                        
                                   Force constant:                     0.6498  mdyne/A                                    
                                   IR intensity:                       2.1825  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     -0.0122     -0.0035                                   
                                   7       C            -0.0139     -0.0314     -0.0190                                   
                                   8       C             0.0362      0.0692     -0.0074                                   
                                   9       C            -0.0064      0.0180     -0.0034                                   
                                   10      C             0.0006      0.0257     -0.0179                                   
                                   11      C            -0.0204     -0.0220      0.0145                                   
                                   12      C             0.0048      0.0121     -0.0122                                   
                                   13      C             0.0075      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     -0.0174      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      0.0099      0.0046                                   
                                   22      C             0.0002     -0.0357      0.0085                                   
                                   23      C            -0.0275      0.0061     -0.0075                                   
                                   24      H            -0.0221     -0.0416     -0.0113                                   
                                   25      H            -0.0135     -0.0196     -0.0092                                   
                                   26      H             0.0252      0.0924     -0.0922                                   
                                   27      H             0.0787     -0.0436      0.0853                                   
                                   28      H             0.0368     -0.1479     -0.1491                                   
                                   29      H             0.0201     -0.0045      0.2278                                   
                                   30      H             0.0496      0.0691      0.0165                                   
                                   31      H            -0.0259     -0.0533     -0.0967                                   
                                   32      H            -0.0065      0.0253      0.0002                                   
                                   33      H             0.0323     -0.0057     -0.0279                                   
                                   34      H            -0.0183      0.0578      0.0248                                   
                                   35      H            -0.0175     -0.0051     -0.0122                                   
                                   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     -0.0137                                   
                                   40      H             0.0121     -0.0019      0.0645                                   
                                   41      H             0.0081     -0.0199     -0.0323                                   
                                   42      H             0.0183      0.0003      0.0043                                   
                                   43      H             0.0190     -0.0209      0.0333                                   
                                   44      H             0.0421      0.2157      0.4839                                   
                                   45      H            -0.0111      0.0161      0.0086                                   
                                   46      H            -0.0510     -0.2512     -0.6615                                   
                                   47      H             0.0219     -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:                       2.4471  amu                                        
                                   Force constant:                     1.1519  mdyne/A                                    
                                   IR intensity:                       4.8632  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      0.0932     -0.0833                                   
                                   8       C             0.0410     -0.1410      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     -0.0660                                   
                                   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      0.0875     -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      0.0050     -0.0771                                   
                                   27      H            -0.0968      0.1021     -0.1234                                   
                                   28      H             0.0907      0.2598      0.2962                                   
                                   29      H             0.0440      0.0081     -0.4243                                   
                                   30      H             0.0211      0.1217      0.0234                                   
                                   31      H            -0.0458     -0.0352     -0.1002                                   
                                   32      H            -0.0677     -0.1452      0.0628                                   
                                   33      H            -0.1253      0.1159     -0.0292                                   
                                   34      H            -0.0646      0.0109     -0.0103                                   
                                   35      H             0.0343     -0.1319     -0.2202                                   
                                   36      H             0.0209      0.0656     -0.0202                                   
                                   37      H             0.0092      0.0575     -0.0059                                   
                                   38      H            -0.0472     -0.0503      0.0345                                   
                                   39      H             0.0170     -0.0248     -0.1295                                   
                                   40      H             0.0324      0.0071      0.0706                                   
                                   41      H             0.0442     -0.0038      0.0180                                   
                                   42      H            -0.0436     -0.1164      0.0706                                   
                                   43      H            -0.1066      0.1060     -0.2484                                   
                                   44      H             0.0037      0.0491      0.1401                                   
                                   45      H            -0.0381     -0.0881     -0.0157                                   
                                   46      H            -0.0314     -0.0004     -0.1846                                   
                                   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:                       3.4882  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      0.0254                                   
                                   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      0.0554                                   
                                   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     -0.0155     -0.0501                                   
                                   42      H            -0.0131     -0.2062      0.1452                                   
                                   43      H            -0.0626      0.0507     -0.2514                                   
                                   44      H            -0.0723     -0.1449     -0.1102                                   
                                   45      H            -0.0850     -0.0711      0.0080                                   
                                   46      H            -0.0747      0.1696      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:                      14.0025  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      0.1056     -0.0236                                   
                                   23      C             0.0644     -0.0150      0.0179                                   
                                   24      H            -0.0383     -0.0299     -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            -0.0063      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     -0.0693     -0.0109                                   
                                   38      H            -0.0776      0.0113     -0.0840                                   
                                   39      H            -0.0080      0.0184      0.1018                                   
                                   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      0.0421     -0.0281                                   
                                   45      H            -0.1251     -0.1376     -0.0022                                   
                                   46      H             0.0550     -0.1085     -0.0050                                   
                                   47      H            -0.2208      0.1079     -0.0823                                   
                                   48      H             0.1646     -0.1428     -0.2178                                   
                                   49      H             0.0761      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:                       2.9233  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     -0.0007      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             0.1006      0.1953     -0.0380                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      53                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 942.76  cm**-1                                     
                                   Reduced mass:                       1.9628  amu                                        
                                   Force constant:                     1.0278  mdyne/A                                    
                                   IR intensity:                       3.3830  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     -0.0493                                   
                                   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     -0.0873     -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     -0.1134                                   
                                   49      H             0.0029      0.0322     -0.0040                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      54                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 949.41  cm**-1                                     
                                   Reduced mass:                       1.7155  amu                                        
                                   Force constant:                     0.9110  mdyne/A                                    
                                   IR intensity:                       9.0001  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     -0.0138                                   
                                   7       C            -0.0325     -0.0581     -0.0191                                   
                                   8       C             0.0190     -0.0128      0.0263                                   
                                   9       C             0.0528      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             0.0106     -0.0369      0.0086                                   
                                   23      C            -0.0149      0.0016     -0.0043                                   
                                   24      H            -0.0501      0.0061     -0.0031                                   
                                   25      H            -0.0163      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            -0.0180     -0.0061      0.0061                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      55                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 968.36  cm**-1                                     
                                   Reduced mass:                       1.9913  amu                                        
                                   Force constant:                     1.1001  mdyne/A                                    
                                   IR intensity:                      12.7962  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      0.0866      0.0969                                   
                                   27      H            -0.0977      0.1138     -0.1694                                   
                                   28      H             0.0575     -0.0321     -0.0459                                   
                                   29      H            -0.0528      0.0012      0.0129                                   
                                   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      0.2153      0.1250                                   
                                   35      H            -0.2128     -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     -0.1198      0.0237                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      56                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                 996.12  cm**-1                                     
                                   Reduced mass:                       2.0219  amu                                        
                                   Force constant:                     1.1820  mdyne/A                                    
                                   IR intensity:                       7.4624  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            -0.0357      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      0.0128     -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      0.0117     -0.2550                                   
                                   34      H            -0.0671      0.0028      0.0515                                   
                                   35      H             0.0765      0.0607     -0.0994                                   
                                   36      H             0.0279     -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            -0.0790     -0.0224     -0.1054                                   
                                   41      H            -0.0959      0.0126     -0.0189                                   
                                   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:                       1.8325  amu                                        
                                   Force constant:                     1.0801  mdyne/A                                    
                                   IR intensity:                      11.0219  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            -0.2023      0.1284     -0.0704                                   
                                   28      H             0.1375     -0.0752     -0.0890                                   
                                   29      H            -0.1428      0.0220      0.0340                                   
                                   30      H            -0.0021     -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            -0.0344     -0.1561     -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      0.1110                                   
                                   44      H            -0.0156     -0.0350      0.0005                                   
                                   45      H            -0.0191     -0.0372      0.0073                                   
                                   46      H            -0.0395      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:                       6.3198  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      0.0774      0.0520                                   
                                   37      H            -0.1213      0.1645     -0.0474                                   
                                   38      H             0.1752     -0.0290      0.2349                                   
                                   39      H            -0.0266      0.0015      0.2625                                   
                                   40      H            -0.0703     -0.0416     -0.0774                                   
                                   41      H            -0.0868     -0.0247     -0.1065                                   
                                   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      0.0048     -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:                      27.3001  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      0.0027                                   
                                   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     -0.0012                                   
                                   20      C            -0.0003     -0.0119      0.0035                                   
                                   21      C             0.0126      0.0136     -0.0014                                   
                                   22      C             0.0013     -0.0257      0.0069                                   
                                   23      C             0.0061     -0.0055      0.0030                                   
                                   24      H            -0.0076      0.1551      0.0189                                   
                                   25      H            -0.0805     -0.0511     -0.0060                                   
                                   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     -0.0726     -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     -0.1848                                   
                                   41      H            -0.0432      0.0437      0.0548                                   
                                   42      H             0.1271     -0.0104     -0.0094                                   
                                   43      H            -0.1279      0.0332      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     -0.0206     -0.0322                                   
                                   48      H            -0.1117      0.1096      0.0806                                   
                                   49      H             0.0456      0.1251     -0.0227                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      60                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1043.36  cm**-1                                     
                                   Reduced mass:                       2.0259  amu                                        
                                   Force constant:                     1.2994  mdyne/A                                    
                                   IR intensity:                      11.5663  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     -0.0073                                   
                                   4       C            -0.0549     -0.0155     -0.0506                                   
                                   5       C             0.0159     -0.0525     -0.0264                                   
                                   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      0.0187                                   
                                   11      C            -0.0205      0.0621     -0.0648                                   
                                   12      C             0.0590      0.0415     -0.0126                                   
                                   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     -0.0205     -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     -0.0308      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             0.0935     -0.1191     -0.0174                                   
                                   25      H            -0.0095     -0.0218     -0.0397                                   
                                   26      H             0.1264     -0.1001     -0.0617                                   
                                   27      H            -0.2254      0.1209      0.1265                                   
                                   28      H             0.1563      0.0166      0.0627                                   
                                   29      H            -0.0942      0.0330     -0.0248                                   
                                   30      H             0.0011     -0.2129     -0.0416                                   
                                   31      H            -0.2468      0.2349      0.1018                                   
                                   32      H            -0.0108     -0.1070     -0.0060                                   
                                   33      H            -0.0247      0.1102     -0.1090                                   
                                   34      H            -0.0779     -0.2077      0.0549                                   
                                   35      H            -0.0799     -0.0493      0.1486                                   
                                   36      H            -0.1564      0.0894     -0.0470                                   
                                   37      H             0.0286     -0.0604      0.0624                                   
                                   38      H             0.0375     -0.0626      0.0600                                   
                                   39      H            -0.0242      0.0435      0.1487                                   
                                   40      H            -0.0644     -0.0197     -0.1973                                   
                                   41      H            -0.0677      0.0260     -0.0009                                   
                                   42      H             0.0852      0.0461     -0.0683                                   
                                   43      H            -0.1416      0.0814      0.1246                                   
                                   44      H             0.1170      0.0712     -0.0237                                   
                                   45      H            -0.0390     -0.0706      0.0087                                   
                                   46      H            -0.0762      0.0199      0.0108                                   
                                   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:                       1.9101  amu                                        
                                   Force constant:                     1.2367  mdyne/A                                    
                                   IR intensity:                       6.4531  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     -0.0867                                   
                                   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            -0.0059     -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     -0.0366     -0.0015                                   
                                   15      C            -0.0219      0.0149     -0.0016                                   
                                   16      C            -0.0069      0.0242     -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     -0.0010      0.0015                                   
                                   24      H             0.1671      0.0384      0.0504                                   
                                   25      H            -0.4064      0.1432     -0.2599                                   
                                   26      H             0.1232     -0.2333      0.0506                                   
                                   27      H            -0.0108      0.0163     -0.1867                                   
                                   28      H             0.0667      0.0412      0.1143                                   
                                   29      H            -0.1501      0.0592      0.0388                                   
                                   30      H             0.2013     -0.1098      0.0241                                   
                                   31      H             0.0316     -0.0100     -0.0026                                   
                                   32      H            -0.0427      0.1322     -0.0003                                   
                                   33      H             0.0500     -0.0332      0.0106                                   
                                   34      H            -0.1092      0.1278      0.0901                                   
                                   35      H            -0.0319     -0.1179     -0.1498                                   
                                   36      H             0.0105      0.1939     -0.0027                                   
                                   37      H             0.2051      0.0934      0.0184                                   
                                   38      H            -0.2351     -0.1220     -0.0456                                   
                                   39      H             0.0070     -0.0695     -0.0433                                   
                                   40      H            -0.0050     -0.0339      0.0962                                   
                                   41      H            -0.0111     -0.0771     -0.2148                                   
                                   42      H             0.0215      0.0151     -0.0085                                   
                                   43      H            -0.0797      0.0486      0.0173                                   
                                   44      H            -0.0492     -0.0050      0.0058                                   
                                   45      H             0.0600      0.1339      0.0189                                   
                                   46      H             0.1249     -0.0325      0.0360                                   
                                   47      H            -0.0342      0.0342     -0.0093                                   
                                   48      H            -0.0517      0.0357      0.0515                                   
                                   49      H            -0.0484     -0.1840      0.0361                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      62                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1063.16  cm**-1                                     
                                   Reduced mass:                       1.8032  amu                                        
                                   Force constant:                     1.2008  mdyne/A                                    
                                   IR intensity:                      22.3481  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      0.0749     -0.0151                                   
                                   4       C             0.0091     -0.0343     -0.0158                                   
                                   5       C            -0.0313     -0.0161     -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            -0.0791     -0.0242     -0.0699                                   
                                   16      C             0.0390     -0.0028     -0.0275                                   
                                   17      C             0.0340      0.0038     -0.0377                                   
                                   18      C            -0.0018      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     -0.0192      0.1306                                   
                                   30      H             0.1480      0.0447      0.0696                                   
                                   31      H             0.2290     -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      0.0189      0.1658                                   
                                   40      H            -0.0704     -0.0406     -0.1277                                   
                                   41      H            -0.0771     -0.0191     -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:                      36.2516  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     -0.0126                                   
                                   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            -0.0125     -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      0.1197      0.2172                                   
                                   27      H             0.0451     -0.0353      0.0244                                   
                                   28      H            -0.1746      0.0025     -0.0610                                   
                                   29      H             0.2083     -0.0542     -0.0119                                   
                                   30      H             0.2207     -0.0735      0.0292                                   
                                   31      H            -0.2203      0.0692     -0.0881                                   
                                   32      H            -0.0680     -0.0945      0.0524                                   
                                   33      H             0.0682      0.0304     -0.1582                                   
                                   34      H            -0.0344     -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      0.0988                                   
                                   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      0.0682                                   
                                   49      H            -0.1039     -0.2914      0.0480                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      64                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1078.75  cm**-1                                     
                                   Reduced mass:                       1.9202  amu                                        
                                   Force constant:                     1.3166  mdyne/A                                    
                                   IR intensity:                      68.6327  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            -0.0126      0.0305      0.0031                                   
                                   9       C            -0.0249      0.0241      0.0230                                   
                                   10      C            -0.0037     -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            -0.0713     -0.0281     -0.0329                                   
                                   16      C             0.0230     -0.0235     -0.0120                                   
                                   17      C             0.0639     -0.0205     -0.0478                                   
                                   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      0.0965      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     -0.0413                                   
                                   29      H            -0.1325      0.0335      0.0680                                   
                                   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     -0.0041                                   
                                   36      H             0.0417      0.0834     -0.0002                                   
                                   37      H            -0.0727     -0.0059     -0.0304                                   
                                   38      H            -0.2533     -0.1577     -0.0206                                   
                                   39      H            -0.0181      0.0503      0.0784                                   
                                   40      H            -0.0399     -0.0086     -0.1650                                   
                                   41      H            -0.0430      0.0333      0.0332                                   
                                   42      H            -0.0208      0.0278     -0.0293                                   
                                   43      H             0.1910     -0.0943     -0.0351                                   
                                   44      H             0.1816      0.1205     -0.0505                                   
                                   45      H             0.0406      0.0743      0.0045                                   
                                   46      H            -0.1585      0.0583      0.0073                                   
                                   47      H             0.6895      0.0168      0.1493                                   
                                   48      H             0.0470     -0.0577     -0.0288                                   
                                   49      H            -0.0281      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:                       3.9070  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0006     -0.0160     -0.0021                                   
                                   2       O            -0.0304      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             0.0118      0.0033      0.0375                                   
                                   9       C            -0.0182     -0.0200      0.0361                                   
                                   10      C            -0.0400      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      0.2462     -0.0010                                   
                                   25      H             0.3145     -0.3307      0.2268                                   
                                   26      H            -0.2212      0.0852      0.1788                                   
                                   27      H            -0.1073      0.0562      0.0586                                   
                                   28      H             0.4012     -0.0615      0.0271                                   
                                   29      H            -0.2124      0.0632     -0.0042                                   
                                   30      H             0.0289     -0.1134     -0.0282                                   
                                   31      H            -0.1314      0.0772      0.0076                                   
                                   32      H             0.0562     -0.0870     -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            -0.0398     -0.0241      0.0340                                   
                                   43      H             0.1892     -0.1149     -0.0628                                   
                                   44      H            -0.0201     -0.0056     -0.0021                                   
                                   45      H             0.1053      0.1914      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:                       1.9979  amu                                        
                                   Force constant:                     1.3980  mdyne/A                                    
                                   IR intensity:                      28.2206  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0363      0.0639      0.0019                                   
                                   2       O             0.0050     -0.0014     -0.0047                                   
                                   3       O            -0.0029     -0.0071      0.0010                                   
                                   4       C            -0.0240     -0.0049      0.0124                                   
                                   5       C             0.0185     -0.0312     -0.0086                                   
                                   6       C            -0.0393      0.0670     -0.0161                                   
                                   7       C             0.0730     -0.0135      0.0221                                   
                                   8       C             0.0605     -0.0201     -0.0464                                   
                                   9       C             0.0093      0.0029      0.0369                                   
                                   10      C            -0.2086      0.0213      0.0057                                   
                                   11      C            -0.0136      0.0115     -0.0444                                   
                                   12      C            -0.0367      0.0282     -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     -0.0215                                   
                                   17      C             0.0044     -0.0190      0.0641                                   
                                   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             0.0031     -0.0003     -0.0011                                   
                                   22      C             0.0006      0.0028     -0.0012                                   
                                   23      C            -0.0044      0.0021     -0.0019                                   
                                   24      H             0.0948     -0.1413      0.0001                                   
                                   25      H            -0.0278      0.1914      0.0030                                   
                                   26      H             0.2274     -0.2059     -0.0671                                   
                                   27      H            -0.0337      0.0162     -0.0262                                   
                                   28      H             0.3471     -0.0851     -0.0615                                   
                                   29      H             0.1606     -0.0400     -0.0517                                   
                                   30      H             0.0349     -0.1325     -0.0262                                   
                                   31      H            -0.0799      0.0745      0.0445                                   
                                   32      H            -0.0593      0.1007      0.0241                                   
                                   33      H            -0.0645      0.0304      0.0663                                   
                                   34      H            -0.1371      0.0399      0.1058                                   
                                   35      H            -0.0186     -0.0856     -0.1144                                   
                                   36      H            -0.0346      0.0444     -0.0207                                   
                                   37      H             0.0934     -0.0374      0.0412                                   
                                   38      H            -0.0307     -0.0142     -0.0231                                   
                                   39      H             0.0058     -0.0351     -0.0453                                   
                                   40      H             0.0100     -0.0023      0.0307                                   
                                   41      H             0.0115     -0.0125     -0.0331                                   
                                   42      H            -0.1266     -0.0384      0.1015                                   
                                   43      H             0.3689     -0.2472     -0.0961                                   
                                   44      H            -0.0357     -0.0170      0.0098                                   
                                   45      H            -0.1398     -0.2538     -0.0310                                   
                                   46      H             0.0411     -0.0168      0.0226                                   
                                   47      H             0.0455      0.0022      0.0108                                   
                                   48      H             0.2312     -0.1664     -0.2109                                   
                                   49      H            -0.0035      0.0067     -0.0011                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      67                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1090.06  cm**-1                                     
                                   Reduced mass:                       3.0674  amu                                        
                                   Force constant:                     2.1475  mdyne/A                                    
                                   IR intensity:                      41.8208  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0242      0.0054     -0.0154                                   
                                   2       O             0.1653     -0.0345     -0.1314                                   
                                   3       O            -0.0052     -0.0365      0.0081                                   
                                   4       C            -0.0488     -0.0035     -0.0216                                   
                                   5       C            -0.0031      0.0380     -0.0099                                   
                                   6       C             0.0225     -0.0353      0.0189                                   
                                   7       C            -0.0334      0.0240      0.0223                                   
                                   8       C             0.0065      0.0148      0.0574                                   
                                   9       C            -0.0092      0.0064      0.0352                                   
                                   10      C            -0.0469     -0.0759     -0.0774                                   
                                   11      C             0.0451     -0.0136      0.0124                                   
                                   12      C             0.0121     -0.0208     -0.0054                                   
                                   13      C            -0.0017      0.0199     -0.0028                                   
                                   14      C             0.0062     -0.0157      0.0010                                   
                                   15      C            -0.0402     -0.0061     -0.0199                                   
                                   16      C             0.0089     -0.0065     -0.0210                                   
                                   17      C            -0.1991      0.0855      0.1973                                   
                                   18      C            -0.0019      0.0080     -0.0074                                   
                                   19      C             0.0025      0.0149     -0.0027                                   
                                   20      C            -0.0020     -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             0.0400      0.0954     -0.0008                                   
                                   25      H             0.1551     -0.1757      0.1184                                   
                                   26      H             0.1136     -0.0685     -0.0844                                   
                                   27      H            -0.1921      0.1025      0.1324                                   
                                   28      H            -0.1183      0.0244      0.0502                                   
                                   29      H             0.3179     -0.0567      0.0484                                   
                                   30      H             0.1394     -0.0457      0.0237                                   
                                   31      H             0.1718     -0.0828      0.0248                                   
                                   32      H            -0.0090      0.0163      0.0172                                   
                                   33      H             0.0500     -0.0462      0.0010                                   
                                   34      H             0.0355      0.0055     -0.0203                                   
                                   35      H             0.0643      0.0838     -0.0165                                   
                                   36      H            -0.0051      0.0855     -0.0002                                   
                                   37      H             0.0114      0.0152     -0.0137                                   
                                   38      H            -0.1716     -0.0985     -0.0240                                   
                                   39      H            -0.0097      0.0069      0.0384                                   
                                   40      H            -0.0208     -0.0116     -0.0589                                   
                                   41      H            -0.0227      0.0007     -0.0268                                   
                                   42      H            -0.1938     -0.0972      0.2184                                   
                                   43      H            -0.3096      0.1121     -0.0910                                   
                                   44      H             0.0581      0.0467     -0.0175                                   
                                   45      H             0.1606      0.3016      0.0062                                   
                                   46      H            -0.0339      0.0148      0.0135                                   
                                   47      H             0.1578      0.0038      0.0356                                   
                                   48      H             0.1181     -0.0152     -0.1382                                   
                                   49      H             0.0023      0.0980     -0.0243                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      68                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1113.32  cm**-1                                     
                                   Reduced mass:                       1.9475  amu                                        
                                   Force constant:                     1.4222  mdyne/A                                    
                                   IR intensity:                      11.4220  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            -0.2108      0.1657      0.0978                                   
                                   34      H             0.0590      0.0452     -0.0712                                   
                                   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      0.3505      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     -0.1453      0.0280                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      69                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1116.48  cm**-1                                     
                                   Reduced mass:                       1.6241  amu                                        
                                   Force constant:                     1.1928  mdyne/A                                    
                                   IR intensity:                       3.3591  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      0.0022      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     -0.1141     -0.1424                                   
                                   27      H            -0.2174      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             0.1247     -0.0805     -0.0779                                   
                                   34      H            -0.1003     -0.0614      0.0907                                   
                                   35      H             0.0204      0.0146     -0.0343                                   
                                   36      H             0.1917     -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     -0.2080                                   
                                   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     -0.5941      0.1129                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      70                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1140.79  cm**-1                                     
                                   Reduced mass:                       1.3800  amu                                        
                                   Force constant:                     1.0581  mdyne/A                                    
                                   IR intensity:                       0.8967  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     -0.0193                                   
                                   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     -0.0015                                   
                                   15      C             0.0137      0.0073     -0.0146                                   
                                   16      C             0.0304      0.0023      0.0042                                   
                                   17      C            -0.0367     -0.0024      0.0264                                   
                                   18      C             0.0145      0.0006      0.0011                                   
                                   19      C             0.0118      0.0207     -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     -0.0476      0.0163                                   
                                   24      H             0.1247      0.1451      0.0088                                   
                                   25      H            -0.0913      0.3720     -0.0500                                   
                                   26      H            -0.1217      0.0864      0.0759                                   
                                   27      H             0.2223     -0.1162     -0.1410                                   
                                   28      H             0.0848      0.0080      0.0365                                   
                                   29      H            -0.0341      0.0129     -0.0178                                   
                                   30      H            -0.0945      0.1032      0.0044                                   
                                   31      H             0.0978     -0.0687     -0.0204                                   
                                   32      H             0.0737     -0.1002     -0.0428                                   
                                   33      H             0.0258      0.0140     -0.0641                                   
                                   34      H             0.1423      0.0292     -0.1103                                   
                                   35      H            -0.2483     -0.2268      0.2542                                   
                                   36      H            -0.0113     -0.1505      0.0010                                   
                                   37      H            -0.0963     -0.0208     -0.0219                                   
                                   38      H             0.0568      0.0266      0.0202                                   
                                   39      H            -0.0154      0.0329      0.1291                                   
                                   40      H            -0.0523     -0.0236     -0.0782                                   
                                   41      H            -0.0613     -0.0053     -0.0560                                   
                                   42      H            -0.1271      0.0562      0.0259                                   
                                   43      H             0.1479     -0.1033     -0.0100                                   
                                   44      H             0.2902      0.1652     -0.0888                                   
                                   45      H             0.0241      0.0811     -0.0083                                   
                                   46      H            -0.1496      0.0707     -0.0345                                   
                                   47      H             0.0601     -0.0199      0.0167                                   
                                   48      H             0.1226     -0.0801     -0.1044                                   
                                   49      H            -0.0479     -0.2675      0.0562                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      71                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1144.20  cm**-1                                     
                                   Reduced mass:                       1.7484  amu                                        
                                   Force constant:                     1.3487  mdyne/A                                    
                                   IR intensity:                       8.2614  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             0.0151      0.0115     -0.0520                                   
                                   5       C            -0.0151     -0.0045      0.0311                                   
                                   6       C             0.0185     -0.0020      0.0146                                   
                                   7       C            -0.0131      0.0121      0.0194                                   
                                   8       C             0.0107     -0.0174      0.0230                                   
                                   9       C             0.0263      0.0300     -0.0962                                   
                                   10      C            -0.0044      0.0361     -0.0239                                   
                                   11      C            -0.0120     -0.0030      0.0102                                   
                                   12      C             0.0298     -0.0073     -0.0117                                   
                                   13      C            -0.0186     -0.0110      0.0122                                   
                                   14      C            -0.0267     -0.0303      0.0872                                   
                                   15      C             0.0171      0.0147     -0.0555                                   
                                   16      C            -0.0040     -0.0156      0.0370                                   
                                   17      C            -0.0218     -0.0134      0.0202                                   
                                   18      C             0.0084     -0.0005      0.0104                                   
                                   19      C            -0.0406     -0.0918     -0.0126                                   
                                   20      C            -0.0024      0.0238     -0.0090                                   
                                   21      C             0.0057     -0.0429      0.0211                                   
                                   22      C            -0.0419      0.0224     -0.0138                                   
                                   23      C            -0.0084      0.0742     -0.0191                                   
                                   24      H            -0.1209      0.0565      0.0109                                   
                                   25      H            -0.1109      0.0489     -0.0819                                   
                                   26      H             0.0102     -0.0133      0.0045                                   
                                   27      H            -0.0331      0.0208      0.0187                                   
                                   28      H             0.0472      0.0236      0.0487                                   
                                   29      H            -0.0622      0.0232     -0.0506                                   
                                   30      H             0.1963     -0.0457      0.0334                                   
                                   31      H            -0.2011      0.0806     -0.0720                                   
                                   32      H             0.1003     -0.0774     -0.0794                                   
                                   33      H             0.0630     -0.0183     -0.0857                                   
                                   34      H             0.0917      0.0412     -0.0620                                   
                                   35      H            -0.1504     -0.1440      0.1372                                   
                                   36      H             0.1884      0.0598      0.0644                                   
                                   37      H             0.2426      0.3055     -0.0269                                   
                                   38      H             0.0035     -0.0278      0.0552                                   
                                   39      H            -0.0020      0.0300     -0.0016                                   
                                   40      H             0.0150      0.0101      0.0041                                   
                                   41      H             0.0126      0.0412      0.1257                                   
                                   42      H            -0.1040      0.0501      0.0175                                   
                                   43      H             0.1765     -0.1192      0.0027                                   
                                   44      H             0.0153     -0.0018     -0.0051                                   
                                   45      H            -0.0270     -0.0369     -0.0033                                   
                                   46      H            -0.3622      0.2056     -0.0976                                   
                                   47      H            -0.2427      0.0282     -0.0582                                   
                                   48      H             0.1078     -0.0740     -0.0960                                   
                                   49      H             0.0748      0.3378     -0.0714                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      72                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1152.23  cm**-1                                     
                                   Reduced mass:                       1.9649  amu                                        
                                   Force constant:                     1.5370  mdyne/A                                    
                                   IR intensity:                       2.3867  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            -0.0210      0.0038     -0.0050                                   
                                   4       C            -0.1067      0.0774     -0.0277                                   
                                   5       C            -0.0253      0.0026      0.0092                                   
                                   6       C             0.0439     -0.0415      0.0043                                   
                                   7       C            -0.0206      0.0292      0.0206                                   
                                   8       C             0.0141     -0.0196      0.0389                                   
                                   9       C             0.0720     -0.0337     -0.0797                                   
                                   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      0.0118      0.0340                                   
                                   17      C             0.0264     -0.0221      0.0084                                   
                                   18      C            -0.0088     -0.0066      0.0111                                   
                                   19      C             0.0197      0.0309     -0.0021                                   
                                   20      C            -0.0034     -0.0116      0.0067                                   
                                   21      C             0.0017      0.0065     -0.0064                                   
                                   22      C             0.0098     -0.0006      0.0028                                   
                                   23      C             0.0001     -0.0169      0.0041                                   
                                   24      H            -0.1877      0.0619     -0.0144                                   
                                   25      H            -0.1657     -0.0944     -0.1599                                   
                                   26      H             0.0262     -0.0189     -0.0116                                   
                                   27      H             0.0624     -0.0300     -0.1257                                   
                                   28      H             0.1192      0.0452      0.0858                                   
                                   29      H             0.2115     -0.0244     -0.0775                                   
                                   30      H             0.2516     -0.0958      0.0580                                   
                                   31      H             0.0995     -0.0583     -0.0033                                   
                                   32      H             0.1628     -0.1282     -0.1122                                   
                                   33      H            -0.0529      0.0280      0.0166                                   
                                   34      H             0.2372      0.1496     -0.1681                                   
                                   35      H            -0.1414     -0.1139      0.1523                                   
                                   36      H            -0.0029      0.2312     -0.0242                                   
                                   37      H            -0.2749     -0.1540     -0.0317                                   
                                   38      H            -0.0103     -0.0363      0.0232                                   
                                   39      H             0.0108     -0.0239     -0.0609                                   
                                   40      H             0.0565      0.0329      0.1179                                   
                                   41      H             0.0657     -0.0075      0.0527                                   
                                   42      H             0.0437     -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             0.2243     -0.1452      0.0242                                   
                                   47      H             0.0876     -0.0026      0.0173                                   
                                   48      H            -0.0351      0.0184      0.0256                                   
                                   49      H            -0.0213     -0.0834      0.0172                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      73                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1155.30  cm**-1                                     
                                   Reduced mass:                       1.5926  amu                                        
                                   Force constant:                     1.2524  mdyne/A                                    
                                   IR intensity:                       3.3326  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     -0.0235                                   
                                   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            -0.0516     -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     -0.0125      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            -0.0144      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     -0.0257                                   
                                   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     -0.0224                                   
                                   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            -0.1415     -0.0640      0.0380                                   
                                   45      H            -0.0391     -0.0607     -0.0038                                   
                                   46      H             0.4758     -0.2595      0.0563                                   
                                   47      H             0.0880     -0.0146      0.0212                                   
                                   48      H             0.1833     -0.1229     -0.1633                                   
                                   49      H             0.0038      0.0275     -0.0055                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      74                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1167.54  cm**-1                                     
                                   Reduced mass:                       1.8817  amu                                        
                                   Force constant:                     1.5113  mdyne/A                                    
                                   IR intensity:                      12.7467  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            -0.0046     -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      0.0077                                   
                                   10      C             0.0553     -0.0583      0.0839                                   
                                   11      C            -0.0237      0.0469      0.0358                                   
                                   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     -0.0039     -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            -0.0664      0.3154      0.0160                                   
                                   25      H            -0.1181     -0.0414     -0.0920                                   
                                   26      H            -0.0735     -0.0434      0.1129                                   
                                   27      H            -0.0691      0.0369     -0.0570                                   
                                   28      H             0.0015     -0.0594     -0.0603                                   
                                   29      H            -0.2418      0.0570      0.1161                                   
                                   30      H            -0.2387      0.1717     -0.0012                                   
                                   31      H             0.0075      0.0148      0.0048                                   
                                   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     -0.0282                                   
                                   36      H            -0.1800      0.0216     -0.0220                                   
                                   37      H            -0.2540     -0.1455     -0.0083                                   
                                   38      H             0.1215      0.0392      0.0427                                   
                                   39      H             0.0286     -0.0406     -0.2622                                   
                                   40      H             0.1026      0.0601      0.1124                                   
                                   41      H             0.1214      0.0085      0.1089                                   
                                   42      H            -0.1820      0.1462     -0.0297                                   
                                   43      H             0.1736     -0.1156      0.0264                                   
                                   44      H            -0.0749     -0.0503      0.0249                                   
                                   45      H            -0.0484     -0.0635     -0.0123                                   
                                   46      H            -0.0656      0.0216      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:                     1.1881  mdyne/A                                    
                                   IR intensity:                      17.5309  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      0.0190     -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      0.0280     -0.0537                                   
                                   10      C             0.0442     -0.0084      0.0203                                   
                                   11      C            -0.0310      0.0288     -0.0146                                   
                                   12      C            -0.0426      0.0231      0.0307                                   
                                   13      C             0.0553      0.0257     -0.0078                                   
                                   14      C            -0.0247      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             0.0109     -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      0.0084                                   
                                   24      H             0.0056     -0.1043     -0.0054                                   
                                   25      H            -0.1634     -0.3513     -0.1520                                   
                                   26      H            -0.1151     -0.0037      0.1281                                   
                                   27      H            -0.0518      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     -0.0286      0.0294                                   
                                   32      H             0.1064     -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     -0.1976                                   
                                   36      H             0.0345     -0.0563      0.0222                                   
                                   37      H             0.1285      0.1218      0.0099                                   
                                   38      H            -0.1462     -0.1375      0.0284                                   
                                   39      H            -0.0154      0.0594      0.1027                                   
                                   40      H            -0.0371     -0.0172     -0.0784                                   
                                   41      H            -0.0517      0.0273      0.0323                                   
                                   42      H            -0.0946      0.0723     -0.0115                                   
                                   43      H             0.0860     -0.0577      0.0218                                   
                                   44      H            -0.0396     -0.0392      0.0035                                   
                                   45      H            -0.1221     -0.2358     -0.0045                                   
                                   46      H            -0.0227      0.0067     -0.0171                                   
                                   47      H             0.0577     -0.0158      0.0175                                   
                                   48      H             0.0769     -0.0502     -0.0743                                   
                                   49      H             0.0086     -0.0256      0.0077                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      76                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1178.95  cm**-1                                     
                                   Reduced mass:                       2.4203  amu                                        
                                   Force constant:                     1.9820  mdyne/A                                    
                                   IR intensity:                       1.8887  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            -0.0746      0.0705     -0.0329                                   
                                   4       C             0.0441     -0.0247     -0.0388                                   
                                   5       C             0.0149     -0.0188      0.0254                                   
                                   6       C            -0.0333     -0.0125     -0.0028                                   
                                   7       C             0.0088      0.0051      0.0263                                   
                                   8       C            -0.0001      0.0010      0.0044                                   
                                   9       C             0.0963     -0.0873     -0.0833                                   
                                   10      C            -0.0679     -0.0025     -0.0275                                   
                                   11      C            -0.0117      0.0205      0.0188                                   
                                   12      C            -0.0340      0.0205     -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             0.0334     -0.1136      0.0360                                   
                                   24      H            -0.1454      0.1121      0.0022                                   
                                   25      H             0.0398     -0.0661      0.0503                                   
                                   26      H             0.0956     -0.0969     -0.0240                                   
                                   27      H            -0.1712      0.0893      0.1198                                   
                                   28      H             0.0204     -0.0113     -0.0038                                   
                                   29      H             0.0046      0.0016     -0.0064                                   
                                   30      H             0.1577     -0.0059      0.0346                                   
                                   31      H            -0.2008      0.1056     -0.0558                                   
                                   32      H            -0.0568      0.0706      0.0240                                   
                                   33      H             0.1049     -0.0692     -0.0493                                   
                                   34      H            -0.0150      0.0480      0.0093                                   
                                   35      H             0.0107     -0.0198     -0.0650                                   
                                   36      H            -0.2527      0.1020      0.0719                                   
                                   37      H             0.2590      0.3651     -0.0445                                   
                                   38      H             0.0714      0.0362      0.0595                                   
                                   39      H             0.0192     -0.0696     -0.0700                                   
                                   40      H             0.0517      0.0067      0.2096                                   
                                   41      H             0.0723     -0.0187      0.0285                                   
                                   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      0.0470      0.0083                                   
                                   46      H            -0.1245     -0.0172     -0.0382                                   
                                   47      H             0.2900     -0.0619      0.0752                                   
                                   48      H            -0.1334      0.0867      0.1166                                   
                                   49      H             0.0336     -0.0964      0.0345                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      77                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1188.71  cm**-1                                     
                                   Reduced mass:                       1.9405  amu                                        
                                   Force constant:                     1.6155  mdyne/A                                    
                                   IR intensity:                      24.6336  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             0.0321     -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             0.1787      0.2155      0.0501                                   
                                   25      H             0.0033      0.1068      0.0249                                   
                                   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             0.0079      0.0928      0.0133                                   
                                   35      H            -0.0725     -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             0.0894      0.1439      0.0065                                   
                                   46      H             0.2430     -0.1079      0.0167                                   
                                   47      H            -0.0740      0.0060     -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:                      10.1383  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             0.0011     -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            -0.0033      0.0359     -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             0.0406      0.0302     -0.0305                                   
                                   37      H            -0.3159     -0.1905     -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             0.0608     -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     -0.0358                                   
                                   48      H             0.0164     -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:                       9.0741  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      0.0117      0.1211                                   
                                   34      H            -0.2902     -0.1989      0.2277                                   
                                   35      H             0.1878      0.1865     -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             0.0921     -0.0616      0.0284                                   
                                   44      H            -0.0606     -0.0414      0.0229                                   
                                   45      H             0.0989      0.2196     -0.0022                                   
                                   46      H             0.0259     -0.0269     -0.0035                                   
                                   47      H             0.0552     -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:                      17.2824  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             0.0597     -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     -0.0169     -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      0.1060                                   
                                   40      H            -0.0266     -0.0286      0.0875                                   
                                   41      H            -0.0209     -0.0357     -0.0887                                   
                                   42      H             0.0336     -0.0134     -0.0225                                   
                                   43      H            -0.1258      0.0870     -0.0219                                   
                                   44      H             0.1486      0.1082     -0.0672                                   
                                   45      H            -0.0298     -0.0545     -0.0113                                   
                                   46      H            -0.1273      0.0629     -0.0544                                   
                                   47      H            -0.0717      0.0097     -0.0173                                   
                                   48      H            -0.0084      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:                     1.8760  mdyne/A                                    
                                   IR intensity:                       5.2985  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            -0.0043     -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      0.0766                                   
                                   42      H            -0.0055      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             0.0287      0.0600     -0.0117                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      82                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1240.31  cm**-1                                     
                                   Reduced mass:                       2.3791  amu                                        
                                   Force constant:                     2.1563  mdyne/A                                    
                                   IR intensity:                      19.7172  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      0.0936     -0.0314                                   
                                   4       C             0.0115     -0.0340     -0.0078                                   
                                   5       C            -0.0975      0.0419     -0.0264                                   
                                   6       C            -0.0034      0.0561     -0.0035                                   
                                   7       C             0.0331     -0.0231     -0.0194                                   
                                   8       C             0.0083      0.0212     -0.0019                                   
                                   9       C             0.0077      0.0126      0.0845                                   
                                   10      C            -0.0222     -0.0447      0.0090                                   
                                   11      C            -0.0010     -0.0038      0.0242                                   
                                   12      C             0.0748     -0.0300     -0.0259                                   
                                   13      C            -0.0267     -0.0240      0.0485                                   
                                   14      C             0.0823     -0.0189     -0.0126                                   
                                   15      C            -0.0032      0.0167      0.0031                                   
                                   16      C            -0.0035     -0.0041     -0.0236                                   
                                   17      C             0.0063      0.0181      0.0024                                   
                                   18      C             0.0060      0.0408     -0.0280                                   
                                   19      C            -0.0742     -0.0362     -0.0157                                   
                                   20      C             0.0292      0.0039     -0.0013                                   
                                   21      C             0.0800     -0.0494      0.0323                                   
                                   22      C            -0.1235      0.0185     -0.0311                                   
                                   23      C             0.0707     -0.1282      0.0474                                   
                                   24      H            -0.0115     -0.0633     -0.0143                                   
                                   25      H            -0.0652      0.0237     -0.0480                                   
                                   26      H            -0.1156      0.0532      0.0948                                   
                                   27      H            -0.0188      0.0074      0.0368                                   
                                   28      H             0.0082     -0.0415     -0.0421                                   
                                   29      H            -0.0118      0.0113      0.0285                                   
                                   30      H             0.0126      0.0359      0.0214                                   
                                   31      H            -0.1536      0.0630     -0.0373                                   
                                   32      H             0.2052     -0.1597     -0.1535                                   
                                   33      H            -0.2376      0.1482      0.1547                                   
                                   34      H             0.1261      0.1337     -0.0707                                   
                                   35      H            -0.0748     -0.0746      0.0612                                   
                                   36      H             0.1573     -0.0229     -0.0139                                   
                                   37      H            -0.1581     -0.1383     -0.0125                                   
                                   38      H             0.0933      0.0868     -0.0205                                   
                                   39      H            -0.0008      0.0151     -0.0381                                   
                                   40      H             0.0108      0.0086     -0.0284                                   
                                   41      H            -0.0009     -0.0130     -0.0355                                   
                                   42      H             0.0139     -0.0422      0.0218                                   
                                   43      H            -0.0626      0.0481     -0.0288                                   
                                   44      H            -0.2334     -0.0983      0.0550                                   
                                   45      H             0.0173      0.0249      0.0007                                   
                                   46      H            -0.2484      0.1661     -0.0364                                   
                                   47      H             0.3762     -0.0036      0.0843                                   
                                   48      H            -0.0619      0.0412      0.0568                                   
                                   49      H             0.1983      0.3185     -0.0375                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      83                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1242.42  cm**-1                                     
                                   Reduced mass:                       2.0667  amu                                        
                                   Force constant:                     1.8796  mdyne/A                                    
                                   IR intensity:                      11.0820  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     -0.0700      0.0097                                   
                                   4       C            -0.0163     -0.0495     -0.0262                                   
                                   5       C            -0.0786      0.0249     -0.0235                                   
                                   6       C            -0.0168      0.0628     -0.0116                                   
                                   7       C             0.0484     -0.0238     -0.0158                                   
                                   8       C             0.0210      0.0206      0.0009                                   
                                   9       C             0.0468      0.0584      0.0531                                   
                                   10      C            -0.0208     -0.0369      0.0148                                   
                                   11      C             0.0049      0.0179      0.0266                                   
                                   12      C             0.0665     -0.0228     -0.0226                                   
                                   13      C            -0.0204     -0.0265      0.0495                                   
                                   14      C            -0.0456     -0.0822     -0.0116                                   
                                   15      C            -0.0023      0.0183     -0.0393                                   
                                   16      C            -0.0109     -0.0182     -0.0175                                   
                                   17      C             0.0046      0.0175      0.0025                                   
                                   18      C             0.0046      0.0087     -0.0094                                   
                                   19      C             0.0835      0.0204      0.0386                                   
                                   20      C             0.0017     -0.0348      0.0119                                   
                                   21      C             0.0360      0.0373     -0.0045                                   
                                   22      C             0.0852      0.0010      0.0178                                   
                                   23      C            -0.0547      0.1037     -0.0384                                   
                                   24      H            -0.1001     -0.1061     -0.0265                                   
                                   25      H            -0.0393      0.0057     -0.0270                                   
                                   26      H            -0.1670      0.0541      0.1566                                   
                                   27      H            -0.0123      0.0036      0.0141                                   
                                   28      H            -0.0244     -0.0350     -0.0392                                   
                                   29      H             0.0223      0.0049      0.0324                                   
                                   30      H             0.0418      0.0224      0.0257                                   
                                   31      H            -0.1458      0.0811     -0.0360                                   
                                   32      H             0.2087     -0.1509     -0.1576                                   
                                   33      H            -0.2655      0.1662      0.1736                                   
                                   34      H             0.1364      0.1618     -0.0789                                   
                                   35      H            -0.0774     -0.0847      0.0480                                   
                                   36      H            -0.3395     -0.0763      0.0013                                   
                                   37      H            -0.0020      0.0937     -0.0360                                   
                                   38      H             0.2055      0.1468      0.0057                                   
                                   39      H            -0.0015      0.0330     -0.0752                                   
                                   40      H             0.0310      0.0216     -0.0405                                   
                                   41      H             0.0197      0.0127      0.0395                                   
                                   42      H             0.0156     -0.0418      0.0207                                   
                                   43      H            -0.0540      0.0431     -0.0239                                   
                                   44      H            -0.0969     -0.0526      0.0290                                   
                                   45      H             0.0323      0.0569      0.0011                                   
                                   46      H            -0.0243     -0.0073      0.0302                                   
                                   47      H            -0.2920      0.0182     -0.0715                                   
                                   48      H            -0.0573      0.0382      0.0530                                   
                                   49      H            -0.1935     -0.3627      0.0495                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      84                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1267.06  cm**-1                                     
                                   Reduced mass:                       2.0719  amu                                        
                                   Force constant:                     1.9598  mdyne/A                                    
                                   IR intensity:                      39.2357  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O             0.0036     -0.0086     -0.0040                                   
                                   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             0.0111     -0.0223      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            -0.0186      0.0059      0.0004                                   
                                   15      C             0.0138      0.0155      0.0021                                   
                                   16      C             0.0137      0.0046      0.0025                                   
                                   17      C            -0.0048     -0.0023     -0.0049                                   
                                   18      C            -0.0009      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            -0.0063      0.0161     -0.0060                                   
                                   23      C             0.0028      0.0386     -0.0090                                   
                                   24      H             0.0807      0.0434      0.0233                                   
                                   25      H            -0.0208      0.1208     -0.0372                                   
                                   26      H             0.1852     -0.0679     -0.1614                                   
                                   27      H             0.0664     -0.0319     -0.0479                                   
                                   28      H             0.0053      0.0265      0.0288                                   
                                   29      H            -0.1275      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      0.1019     -0.0284                                   
                                   36      H            -0.1655     -0.0984      0.0080                                   
                                   37      H             0.0520      0.0238      0.0059                                   
                                   38      H            -0.1403     -0.0893     -0.0053                                   
                                   39      H            -0.0079     -0.0108      0.0809                                   
                                   40      H            -0.0320     -0.0261      0.0073                                   
                                   41      H            -0.0313      0.0094     -0.0082                                   
                                   42      H             0.0937     -0.0493     -0.0151                                   
                                   43      H             0.0519     -0.0305      0.0157                                   
                                   44      H            -0.5796     -0.2650      0.1671                                   
                                   45      H             0.0487      0.1024     -0.0000                                   
                                   46      H            -0.2130      0.1360     -0.0579                                   
                                   47      H            -0.0599      0.0202     -0.0165                                   
                                   48      H             0.0077     -0.0057     -0.0022                                   
                                   49      H            -0.0774     -0.2134      0.0370                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      85                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1271.31  cm**-1                                     
                                   Reduced mass:                       1.7411  amu                                        
                                   Force constant:                     1.6580  mdyne/A                                    
                                   IR intensity:                      22.2465  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             0.0130      0.0041      0.0017                                   
                                   4       C            -0.0152      0.0402      0.0150                                   
                                   5       C             0.0062     -0.0070     -0.0146                                   
                                   6       C            -0.0890     -0.0212     -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            -0.0242      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     -0.0167     -0.0040                                   
                                   32      H             0.1359     -0.0676     -0.0911                                   
                                   33      H            -0.0382      0.0107      0.0276                                   
                                   34      H             0.1445      0.2000     -0.0940                                   
                                   35      H            -0.1865     -0.2109      0.0593                                   
                                   36      H            -0.0488      0.0589     -0.0022                                   
                                   37      H             0.0136     -0.0270      0.0053                                   
                                   38      H             0.0086      0.0142      0.0027                                   
                                   39      H            -0.0116      0.0058      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             0.0632      0.0255     -0.0182                                   
                                   45      H             0.2342      0.4762      0.0068                                   
                                   46      H             0.0355     -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:                       9.9343  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             0.3358     -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             0.0493     -0.0330     -0.0281                                   
                                   34      H             0.0330      0.0345     -0.0241                                   
                                   35      H            -0.1475     -0.1651      0.0751                                   
                                   36      H             0.0698     -0.0263     -0.0016                                   
                                   37      H             0.0401      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:                       1.7281  amu                                        
                                   Force constant:                     1.6770  mdyne/A                                    
                                   IR intensity:                      18.5997  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            -0.0650      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            -0.0078      0.0327     -0.0180                                   
                                   19      C             0.0289     -0.0197     -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             0.0164     -0.1124      0.0443                                   
                                   26      H            -0.0808      0.0031      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      0.0514      0.1422                                   
                                   33      H             0.2036     -0.1069     -0.1639                                   
                                   34      H             0.1052      0.0802     -0.0996                                   
                                   35      H            -0.1828     -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             0.0018     -0.0080      0.0020                                   
                                   40      H            -0.0118     -0.0126      0.0341                                   
                                   41      H            -0.0109     -0.0117     -0.0386                                   
                                   42      H             0.0733      0.0058     -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     -0.1051      0.0181                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      88                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1294.96  cm**-1                                     
                                   Reduced mass:                       1.5744  amu                                        
                                   Force constant:                     1.5556  mdyne/A                                    
                                   IR intensity:                       2.8644  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            -0.0622      0.0007      0.0028                                   
                                   9       C            -0.0394      0.0177     -0.0255                                   
                                   10      C             0.0535     -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            -0.1615      0.0688      0.1909                                   
                                   28      H             0.2987     -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            -0.0931      0.0223      0.0754                                   
                                   33      H             0.1296     -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     -0.1885     -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     -0.0644     -0.0006                                   
                                   46      H            -0.0053      0.0167     -0.0084                                   
                                   47      H             0.0058      0.0055      0.0003                                   
                                   48      H             0.0879     -0.0525     -0.0781                                   
                                   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:                       0.6667  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      0.0545      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            -0.0035      0.0096     -0.0029                                   
                                   24      H             0.0537     -0.5889     -0.0063                                   
                                   25      H            -0.1204      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      0.0358     -0.0004                                   
                                   31      H             0.1046     -0.0948     -0.0389                                   
                                   32      H            -0.1264      0.0188      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     -0.2163      0.0033                                   
                                   37      H            -0.0587     -0.0104     -0.0103                                   
                                   38      H            -0.1909     -0.1445     -0.0037                                   
                                   39      H             0.0081     -0.0170     -0.0405                                   
                                   40      H             0.0125      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      0.0029                                   
                                   45      H             0.0296      0.0517      0.0032                                   
                                   46      H            -0.0618      0.0267     -0.0134                                   
                                   47      H            -0.0255     -0.0069     -0.0041                                   
                                   48      H            -0.0343      0.0205      0.0317                                   
                                   49      H            -0.0146     -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:                       0.7777  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            -0.0564     -0.0436      0.0032                                   
                                   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     -0.0091      0.0034                                   
                                   24      H            -0.2097     -0.2095     -0.0274                                   
                                   25      H            -0.0320      0.2818      0.0116                                   
                                   26      H            -0.1223      0.0197      0.1092                                   
                                   27      H            -0.1482      0.0932      0.0402                                   
                                   28      H            -0.1315      0.0210      0.0032                                   
                                   29      H            -0.0332      0.0052      0.0132                                   
                                   30      H             0.0922     -0.0454      0.0218                                   
                                   31      H            -0.0421      0.0400      0.0116                                   
                                   32      H            -0.0905      0.0905      0.0834                                   
                                   33      H             0.1128     -0.0900     -0.0583                                   
                                   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            -0.0933     -0.1038      0.0020                                   
                                   38      H             0.2756      0.2154     -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     -0.0114                                   
                                   44      H            -0.0773     -0.0466      0.0239                                   
                                   45      H            -0.0127     -0.0233     -0.0003                                   
                                   46      H             0.0935     -0.0329      0.0061                                   
                                   47      H             0.0373      0.0160      0.0048                                   
                                   48      H            -0.0229      0.0129      0.0171                                   
                                   49      H             0.0161      0.0241     -0.0026                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      91                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1310.24  cm**-1                                     
                                   Reduced mass:                       1.6465  amu                                        
                                   Force constant:                     1.6654  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      0.0010     -0.0015                                   
                                   4       C             0.0500      0.1336     -0.0721                                   
                                   5       C            -0.0256     -0.0787      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            -0.0100     -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      0.0486      0.0119                                   
                                   25      H            -0.0672     -0.1880     -0.0544                                   
                                   26      H            -0.0556      0.0941      0.0261                                   
                                   27      H            -0.2295      0.0986      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            -0.0052     -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      0.3654     -0.0205                                   
                                   37      H             0.2139      0.0271      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      0.0095      0.0069                                   
                                   43      H            -0.0348      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     -0.0032      0.0004                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      92                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1322.32  cm**-1                                     
                                   Reduced mass:                       1.3009  amu                                        
                                   Force constant:                     1.3402  mdyne/A                                    
                                   IR intensity:                      68.9662  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     -0.0136                                   
                                   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     -0.0001     -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      0.0014                                   
                                   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:                      10.0084  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      0.0331                                   
                                   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            -0.0084      0.0029     -0.0026                                   
                                   23      C             0.0038      0.0027      0.0001                                   
                                   24      H             0.0461     -0.2092      0.0136                                   
                                   25      H            -0.2391     -0.4814     -0.2374                                   
                                   26      H             0.0148      0.0029     -0.0140                                   
                                   27      H             0.3065     -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     -0.1046                                   
                                   34      H             0.1479      0.0420     -0.1524                                   
                                   35      H             0.0412      0.0359     -0.0201                                   
                                   36      H            -0.0283      0.0785     -0.0021                                   
                                   37      H            -0.0610     -0.0284     -0.0054                                   
                                   38      H             0.0307      0.0189      0.0015                                   
                                   39      H            -0.0082      0.0101      0.0306                                   
                                   40      H             0.0024     -0.0027      0.0153                                   
                                   41      H            -0.0035      0.0092      0.0146                                   
                                   42      H            -0.1264      0.0852      0.0128                                   
                                   43      H            -0.0293      0.0168     -0.0495                                   
                                   44      H            -0.0083      0.0007      0.0078                                   
                                   45      H             0.1261      0.2311      0.0096                                   
                                   46      H             0.0278     -0.0097     -0.0012                                   
                                   47      H             0.0018      0.0025     -0.0002                                   
                                   48      H            -0.0403      0.0238      0.0424                                   
                                   49      H             0.0005     -0.0067      0.0019                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      94                                                               
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1339.90  cm**-1                                     
                                   Reduced mass:                       1.4539  amu                                        
                                   Force constant:                     1.5379  mdyne/A                                    
                                   IR intensity:                      19.6926  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            -0.0343      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             0.0220     -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      0.0200      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             0.0032     -0.0021      0.0003                                   
                                   19      C            -0.0032      0.0022      0.0011                                   
                                   20      C             0.0011     -0.0003      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      0.2272      0.0015                                   
                                   25      H            -0.1089      0.0610     -0.0901                                   
                                   26      H            -0.0261      0.0150      0.0119                                   
                                   27      H            -0.1022      0.0577      0.0441                                   
                                   28      H            -0.0256      0.0114     -0.0047                                   
                                   29      H             0.0150     -0.0120     -0.0048                                   
                                   30      H            -0.1501      0.0561     -0.0331                                   
                                   31      H            -0.1487      0.0888      0.0021                                   
                                   32      H            -0.0268      0.0085      0.0096                                   
                                   33      H            -0.0883      0.0344      0.1214                                   
                                   34      H            -0.0084      0.0003      0.0155                                   
                                   35      H            -0.0054      0.0067      0.0142                                   
                                   36      H            -0.0776     -0.1139      0.0104                                   
                                   37      H             0.1241      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            -0.4621      0.3009      0.0123                                   
                                   43      H            -0.4871      0.2362      0.0845                                   
                                   44      H             0.0170      0.0048     -0.0079                                   
                                   45      H             0.1034      0.2025      0.0046                                   
                                   46      H            -0.0112      0.0061     -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:                       1.7612  amu                                        
                                   Force constant:                     1.8700  mdyne/A                                    
                                   IR intensity:                       4.9862  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            -0.0873      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             0.0770     -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      0.3337     -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     -0.0028                                   
                                   32      H            -0.0434      0.0610      0.0250                                   
                                   33      H             0.0994     -0.0326     -0.1155                                   
                                   34      H             0.0522      0.0708     -0.0555                                   
                                   35      H             0.1512      0.1447     -0.0873                                   
                                   36      H            -0.2436     -0.2968      0.0227                                   
                                   37      H             0.2211      0.1552      0.0059                                   
                                   38      H            -0.0170     -0.0157      0.0116                                   
                                   39      H             0.0096      0.0145     -0.0403                                   
                                   40      H            -0.0150     -0.0024     -0.0276                                   
                                   41      H            -0.0266     -0.0106     -0.0304                                   
                                   42      H             0.3044     -0.2033     -0.0119                                   
                                   43      H             0.1643     -0.0786     -0.0168                                   
                                   44      H             0.0739      0.0436     -0.0184                                   
                                   45      H            -0.0091     -0.0268      0.0017                                   
                                   46      H             0.1150     -0.0292      0.0156                                   
                                   47      H             0.0213      0.0125      0.0027                                   
                                   48      H            -0.0448      0.0270      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             0.0332     -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            -0.1117      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            -0.0183      0.0078      0.0162                                   
                                   35      H             0.0754      0.0703     -0.0480                                   
                                   36      H             0.1482     -0.0709     -0.0110                                   
                                   37      H            -0.1680     -0.0643     -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            -0.0050      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:                       1.9582  amu                                        
                                   Force constant:                     2.1099  mdyne/A                                    
                                   IR intensity:                      16.7181  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      0.0300                                   
                                   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             0.0997      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     -0.0029                                   
                                   25      H             0.1067      0.0984      0.0702                                   
                                   26      H             0.0836     -0.0681     -0.0438                                   
                                   27      H             0.0464     -0.0214     -0.0288                                   
                                   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     -0.1274     -0.1547                                   
                                   33      H             0.0772     -0.0387     -0.0570                                   
                                   34      H             0.0757      0.0927     -0.0481                                   
                                   35      H             0.0699      0.0592     -0.0810                                   
                                   36      H            -0.3237     -0.2738      0.0171                                   
                                   37      H             0.1687      0.1534      0.0012                                   
                                   38      H             0.1570      0.0477      0.0846                                   
                                   39      H             0.0053     -0.0109     -0.0229                                   
                                   40      H             0.0009      0.0044      0.0002                                   
                                   41      H             0.0094     -0.0112     -0.0107                                   
                                   42      H            -0.1347      0.0843      0.0046                                   
                                   43      H            -0.1119      0.0550      0.0290                                   
                                   44      H             0.2948      0.1667     -0.0844                                   
                                   45      H            -0.0048     -0.0005     -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:                       1.9335  amu                                        
                                   Force constant:                     2.1032  mdyne/A                                    
                                   IR intensity:                      16.0180  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            -0.0485     -0.0087     -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     -0.0002      0.0047                                   
                                   11      C             0.0316     -0.0460     -0.0002                                   
                                   12      C            -0.0228      0.0150      0.0073                                   
                                   13      C            -0.0037     -0.0172      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     -0.0204                                   
                                   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            -0.2051      0.0568     -0.0315                                   
                                   25      H             0.0106      0.0068      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     -0.1138                                   
                                   33      H             0.0517     -0.0240     -0.0511                                   
                                   34      H            -0.0004      0.0192      0.0039                                   
                                   35      H             0.0604      0.0480     -0.0588                                   
                                   36      H             0.4481      0.2393     -0.0210                                   
                                   37      H            -0.2873     -0.2109     -0.0135                                   
                                   38      H            -0.3354     -0.1788     -0.0856                                   
                                   39      H             0.0217     -0.0118     -0.0882                                   
                                   40      H            -0.0064      0.0314     -0.0988                                   
                                   41      H             0.0147     -0.0449     -0.0569                                   
                                   42      H            -0.0329      0.0127      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             0.0098     -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:                       2.5634  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             0.0083      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             0.0007     -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     -0.0103                                   
                                   20      C             0.0122     -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      0.0393                                   
                                   25      H             0.1271      0.2623      0.0684                                   
                                   26      H             0.0446      0.0024     -0.0458                                   
                                   27      H            -0.0018     -0.0058     -0.0679                                   
                                   28      H            -0.0553      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     -0.0028                                   
                                   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      0.0010      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            -0.1521     -0.0855      0.0488                                   
                                   45      H            -0.0022      0.0014     -0.0026                                   
                                   46      H            -0.0786      0.0229     -0.0162                                   
                                   47      H            -0.0107     -0.0044     -0.0018                                   
                                   48      H             0.0176     -0.0106     -0.0176                                   
                                   49      H            -0.0087      0.0090     -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            -0.4772      0.2708      0.4001                                   
                                   33      H            -0.3070      0.1824      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             0.1335      0.0661     -0.0469                                   
                                   45      H            -0.0214     -0.0340     -0.0036                                   
                                   46      H             0.0793     -0.0324      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:                     1.5113  mdyne/A                                    
                                   IR intensity:                       0.9985  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            -0.0116     -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      0.0302      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:                       5.9175  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            -0.0093     -0.0078     -0.0028                                   
                                   26      H            -0.0434      0.0415      0.0283                                   
                                   27      H            -0.0227      0.0051     -0.0144                                   
                                   28      H             0.0097     -0.0204     -0.0120                                   
                                   29      H            -0.0008      0.0086     -0.0265                                   
                                   30      H            -0.0073     -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     -0.0555     -0.0018                                   
                                   37      H            -0.0616      0.0431     -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:                1446.49  cm**-1                                     
                                   Reduced mass:                       7.1728  amu                                        
                                   Force constant:                     8.8423  mdyne/A                                    
                                   IR intensity:                       7.5157  km/mol                                     
                                   Normal mode:                                                                           
                                                              X           Y           Z                                   
                                   1       O            -0.0000      0.0001      0.0001                                   
                                   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      0.0038      0.0015                                   
                                   26      H             0.0006     -0.0029      0.0004                                   
                                   27      H             0.0032     -0.0014     -0.0010                                   
                                   28      H             0.0009      0.0022      0.0017                                   
                                   29      H             0.0025     -0.0013      0.0038                                   
                                   30      H             0.0065      0.0369      0.0010                                   
                                   31      H            -0.0121      0.0157      0.0325                                   
                                   32      H            -0.0101      0.0094      0.0095                                   
                                   33      H            -0.0539      0.0273      0.0409                                   
                                   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      0.0405      0.0139                                   
                                   39      H            -0.0301      0.0825      0.0361                                   
                                   40      H             0.0869      0.0388      0.0534                                   
                                   41      H             0.0039      0.0147      0.0314                                   
                                   42      H             0.0047      0.0071     -0.0045                                   
                                   43      H            -0.0016     -0.0008     -0.0080                                   
                                   44      H             0.3503      0.2212     -0.1337                                   
                                   45      H            -0.0000     -0.0004      0.0001                                   
                                   46      H             0.2562      0.0412      0.0329                                   
                                   47      H            -0.2759      0.0194     -0.0730                                   
                                   48      H             0.0009     -0.0006     -0.0004                                   
                                   49      H            -0.1532      0.0784     -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            -0.0006      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             0.0002     -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             0.0495      0.0636      0.1895                                   
                                   36      H            -0.0012      0.0012      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:                       1.2250  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             0.0022     -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      0.0590     -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     -0.1169      0.1258                                   
                                   41      H            -0.2078      0.1070      0.0393                                   
                                   42      H            -0.0251     -0.0245      0.0184                                   
                                   43      H             0.0091      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     -0.0008                                   
                                   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:                       1.0938  amu                                        
                                   Force constant:                     1.4028  mdyne/A                                    
                                   IR intensity:                       2.7632  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             0.0025      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     -0.0075      0.0010                                   
                                   23      C             0.0074      0.0074     -0.0002                                   
                                   24      H            -0.0543     -0.0216     -0.0082                                   
                                   25      H            -0.0070     -0.0193      0.0003                                   
                                   26      H             0.0365      0.2568     -0.1043                                   
                                   27      H            -0.1650      0.0130     -0.2565                                   
                                   28      H             0.1279      0.4144      0.2874                                   
                                   29      H             0.0023     -0.1561      0.5070                                   
                                   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     -0.0040      0.0015                                   
                                   37      H             0.0289     -0.0143      0.0018                                   
                                   38      H             0.0049     -0.0041      0.0287                                   
                                   39      H            -0.0339     -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     -0.0121                                   
                                   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     -0.0086      0.0022                                   
                                   48      H             0.0006      0.0001      0.0004                                   
                                   49      H             0.0029     -0.0112      0.0034                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      107                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1477.90  cm**-1                                     
                                   Reduced mass:                       5.5725  amu                                        
                                   Force constant:                     7.1711  mdyne/A                                    
                                   IR intensity:                      19.6858  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            -0.0206     -0.0546      0.0095                                   
                                   4       C            -0.0007     -0.0004     -0.0001                                   
                                   5       C            -0.0047      0.0043     -0.0004                                   
                                   6       C             0.0014      0.0006      0.0005                                   
                                   7       C            -0.0046      0.0079     -0.0124                                   
                                   8       C             0.0013      0.0026      0.0084                                   
                                   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      0.0027     -0.0027                                   
                                   13      C            -0.0024      0.0040      0.0046                                   
                                   14      C             0.1282     -0.0063      0.0296                                   
                                   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      0.1209     -0.1046                                   
                                   20      C             0.0142     -0.0302      0.0086                                   
                                   21      C             0.0341      0.0731     -0.0128                                   
                                   22      C            -0.1032     -0.3034      0.0513                                   
                                   23      C             0.2775      0.2880     -0.0102                                   
                                   24      H             0.0074     -0.0019     -0.0001                                   
                                   25      H            -0.0004      0.0038     -0.0009                                   
                                   26      H            -0.0263     -0.0977      0.0518                                   
                                   27      H             0.0705     -0.0091      0.0958                                   
                                   28      H            -0.0157     -0.0553     -0.0384                                   
                                   29      H            -0.0004      0.0209     -0.0664                                   
                                   30      H             0.0418      0.0777      0.0020                                   
                                   31      H            -0.0065      0.0286      0.0797                                   
                                   32      H            -0.0192     -0.0249      0.0066                                   
                                   33      H             0.0147     -0.0151      0.0225                                   
                                   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     -0.2024      0.0096                                   
                                   38      H             0.0663     -0.0242      0.2293                                   
                                   39      H            -0.0258      0.0841      0.0332                                   
                                   40      H             0.0922      0.0614      0.0029                                   
                                   41      H             0.0213     -0.0231     -0.0181                                   
                                   42      H            -0.0225     -0.0384      0.0234                                   
                                   43      H             0.0096      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     -0.3422      0.0736                                   
                                   48      H            -0.0003      0.0004     -0.0009                                   
                                   49      H             0.0933     -0.4693      0.1333                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      108                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1484.78  cm**-1                                     
                                   Reduced mass:                       1.1079  amu                                        
                                   Force constant:                     1.4390  mdyne/A                                    
                                   IR intensity:                       0.8132  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      0.0404                                   
                                   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            -0.0027     -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     -0.3653                                   
                                   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     -0.0260      0.0038                                   
                                   48      H            -0.0017      0.0003      0.0038                                   
                                   49      H             0.0054     -0.0336      0.0089                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      109                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1493.83  cm**-1                                     
                                   Reduced mass:                       1.0875  amu                                        
                                   Force constant:                     1.4298  mdyne/A                                    
                                   IR intensity:                       1.2701  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            -0.0009     -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     -0.0002                                   
                                   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     -0.1065                                   
                                   30      H            -0.2877     -0.5180     -0.0078                                   
                                   31      H             0.0151     -0.1902     -0.5543                                   
                                   32      H             0.0301      0.0997      0.0034                                   
                                   33      H            -0.0444      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      0.1130      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      0.0013                                   
                                   48      H             0.0038     -0.0017     -0.0046                                   
                                   49      H             0.0017     -0.0085      0.0025                                   
                                                                                                                          
                                                                                                                          
                                   Vibrational Mode      110                                                              
                                   ----------------------------------------------------                                   
                                   Harmonic frequency:                1496.95  cm**-1                                     
                                   Reduced mass:                       1.0869  amu                                        
                                   Force constant:                     1.4350  mdyne/A                                    
                                   IR intensity:                       0.6513  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     -0.0055                                   
                                   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      0.2382      0.0030                                   
                                   31      H             0.0102      0.0767      0.2598                                   
                                   32      H             0.1762      0.4154     -0.0144                                   
                                   33      H            -0.1770      0.2045     -0.3625                                   
                                   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     -0.2414                                   
                                   39      H             0.0209     -0.1993      0.0732                                   
                                   40      H            -0.0781     -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      0.0933                                   
                                   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     -0.0009      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