%chk=000004767.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004767

0 1
 O   0.1694000       2.067200     -0.2433000    
 O    1.671900       3.758100      0.2378000    
 O   -3.575100      -1.157900      0.7179000    
 C    3.596900       1.352600      0.3328000    
 C    2.522800      0.3538000      6.8599999E-02
 C    2.458200       1.693300     -0.5833000    
 C    3.663600       2.065900       1.642300    
 C    4.940300       1.068600     -0.2507000    
 C    2.805100     -0.8162000     -0.7849000    
 C    1.405300       2.629400     -0.1491000    
 C    3.327800      -2.000300     -0.4131000    
 C    3.554900      -3.099100      -1.413700    
 C    3.724800      -2.332500      0.9975000    
 C  -0.9186000       2.905500      0.1589000    
 C   -2.204700       2.149400     -1.4000000E-03
 C   -2.289200      0.8334000      0.4391000    
 C   -3.300000       2.772000     -0.5893000    
 C   -3.484800      0.1308000      0.2897000    
 C   -4.495600       2.069400     -0.7388000    
 C   -4.588000      0.7488000     -0.2992000    
 C   -2.532400      -2.014300      0.4065000    
 C   -2.016400      -2.008900     -0.8768000    
 C   -2.034400      -2.853600       1.386500    
 C  -0.9666000      -2.872300      -1.190700    
 C  -0.9846000      -3.716900       1.072700    
 C  -0.4508000      -3.726100     -0.2160000    
 H    1.818000      0.1472000      0.8685000    
 H    2.695200       1.770300      -1.640600    
 H    4.024800       3.091500       1.510800    
 H    4.357700       1.553000       2.317900    
 H    2.698000       2.102900       2.158300    
 H    4.903300      0.7494000      -1.298000    
 H    5.460900      0.2964000      0.3260000    
 H    5.561300       1.971600     -0.2270000    
 H    2.541100     -0.6949000      -1.834600    
 H    3.241100      -2.814300      -2.423400    
 H    2.989800      -3.993000      -1.130400    
 H    4.617700      -3.358700      -1.456200    
 H    3.545800      -1.509500       1.695400    
 H    4.791400      -2.576000       1.041700    
 H    3.156400      -3.197400       1.355100    
 H  -0.9177000       3.807500     -0.4646000    
 H  -0.7984000       3.192800       1.210300    
 H   -1.432400      0.3737000      0.9255000    
 H   -3.241500       3.800500     -0.9345000    
 H   -5.354700       2.550500      -1.197100    
 H   -5.521900      0.2063000     -0.4187000    
 H   -2.415500      -1.370600      -1.659600    
 H   -2.448600      -2.847000       2.390200    
 H  -0.5530000      -2.882600      -2.195000    
 H  -0.5824000      -4.381500       1.831700    
 H   0.3662000      -4.398600     -0.4603000    


%chk=000004767-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004767

0 1
O 0.598882 2.269720 -0.282682
O 0.939077 2.260384 -2.599972
O -2.658820 -1.611121 0.966832
C 3.701759 1.953056 -0.046030
C 2.956060 0.630985 0.181271
C 2.700975 1.450859 -1.137940
C 3.341267 3.145507 0.837604
C 5.174670 1.931214 -0.457850
C 3.589185 -0.710661 0.110042
C 1.373288 2.030874 -1.443281
C 3.126669 -1.858290 0.692147
C 3.881396 -3.167054 0.527344
C 1.856903 -1.961179 1.517545
C -0.769111 2.819850 -0.489102
C -1.780235 1.980292 0.264712
C -1.713724 0.566545 0.218051
C -2.819836 2.610873 0.990997
C -2.696715 -0.196669 0.885018
C -3.794092 1.831948 1.656613
C -3.740825 0.424156 1.607177
C -2.161579 -2.410755 -0.093782
C -2.303274 -2.065883 -1.458326
C -1.596724 -3.647553 0.290023
C -1.853379 -2.973422 -2.443286
C -1.158954 -4.546913 -0.706345
C -1.279739 -4.213098 -2.076243
H 2.120007 0.724919 0.881922
H 3.178563 1.067968 -2.045459
H 3.563970 4.098559 0.320626
H 3.943405 3.115674 1.765457
H 2.275069 3.143879 1.114017
H 5.408231 1.121131 -1.170113
H 5.819247 1.796318 0.431340
H 5.451269 2.888033 -0.938134
H 4.515662 -0.780614 -0.478591
H 4.786870 -3.046558 -0.092468
H 3.239001 -3.935648 0.052215
H 4.189059 -3.576517 1.510519
H 1.355013 -0.993630 1.679713
H 2.072572 -2.402759 2.510706
H 1.129005 -2.634586 1.022000
H -0.963418 2.828203 -1.579015
H -0.760540 3.859066 -0.116942
H -0.892732 0.075327 -0.313405
H -2.866849 3.705025 1.039432
H -4.595320 2.322677 2.219471
H -4.478141 -0.200645 2.119357
H -2.762504 -1.115993 -1.747958
H -1.519219 -3.886132 1.355254
H -1.959326 -2.708987 -3.501134
H -0.724136 -5.508224 -0.410959
H -0.935482 -4.910552 -2.846984


