%chk=000006779.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006779

0 1
 O   0.8909000      -1.938100     -0.3051000    
 O  -9.7400002E-02 -0.6187000      -1.911800    
 O   -1.555900       1.768800     -8.1600003E-02
 O   -2.576300      0.9615000      -1.980600    
 C    2.185700      -1.388500     -0.5240000    
 C    3.237100      -2.267700      0.1512000    
 C    2.229500      4.5800000E-02  1.8000000E-03
 C    4.633800      -1.667500      2.7899999E-02
 C    3.626100      0.6462000     -0.1215000    
 C    4.677300     -0.2336000      0.5512000    
 C  -0.1456000      -1.269100     -0.8794000    
 C   -1.382900      -1.427900     -7.4199997E-02
 C   -2.338100     -0.4309000     -5.9799999E-02
 C   -1.534400      -2.596900      0.6470000    
 C  -0.6390000       3.964500      0.2539000    
 C   -1.347800       3.033400     -0.7196000    
 C   0.7209000       3.413100      0.6723000    
 C   -3.490600     -0.6090000      0.7056000    
 C   -2.185400      0.8040000     -0.8180000    
 C   -2.686900      -2.774800       1.412400    
 C   -3.664800      -1.780800       1.441800    
 C    1.443800       4.366200       1.610500    
 H    2.385000      -1.390900      -1.604300    
 H    3.218000      -3.272300     -0.2883000    
 H    2.979900      -2.402200       1.209900    
 H    1.907200      6.4000003E-02   1.051200    
 H    1.528200      0.6914000     -0.5360000    
 H    5.350700      -2.284000      0.5816000    
 H    4.945200      -1.681400      -1.023700    
 H    3.877900      0.7699000      -1.181900    
 H    3.639700       1.645100      0.3289000    
 H    5.674000      0.1898000      0.3839000    
 H    4.509000     -0.2368000       1.635200    
 H  -0.7984000      -3.395200      0.6320000    
 H  -0.5184000       4.949600     -0.2113000    
 H   -1.259700       4.093200       1.149000    
 H   -2.317400       3.461100     -0.9982000    
 H  -0.7429000       2.892200      -1.622600    
 H   0.6017000       2.448100       1.177000    
 H    1.343000       3.244800     -0.2143000    
 H   -4.260200      0.1581000      0.7364000    
 H   -2.824700      -3.688600       1.982900    
 H   -4.562600      -1.919800       2.037100    
 H    2.415500       3.951200       1.896500    
 H   0.8636000       4.533500       2.523500    
 H    1.616400       5.334600       1.130100    


%chk=000006779-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006779

0 1
O 0.959911 -1.355114 0.313728
O 0.034001 0.006767 -1.341988
O -1.805263 1.818629 -0.113246
O -3.336007 1.160098 -1.748048
C 2.340347 -1.075078 -0.213335
C 3.185144 -2.313991 0.112794
C 2.891273 0.201645 0.446025
C 4.658253 -2.084776 -0.311780
C 4.363917 0.429492 0.019614
C 5.239197 -0.806217 0.339218
C -0.109007 -0.751655 -0.350574
C -1.423548 -1.171276 0.232933
C -2.609628 -0.431155 -0.042620
C -1.514430 -2.381469 0.967630
C -0.904932 4.066979 0.156346
C -1.635106 3.132266 -0.807674
C 0.522036 3.599173 0.519859
C -3.862136 -0.938898 0.375670
C -2.615330 0.892098 -0.757762
C -2.763932 -2.864162 1.407902
C -3.943075 -2.147367 1.100486
C 1.242231 4.581667 1.467091
H 2.254873 -0.924473 -1.307351
H 2.763295 -3.200745 -0.395774
H 3.135837 -2.502085 1.203523
H 2.833529 0.085020 1.546482
H 2.265443 1.067469 0.165268
H 5.264227 -2.968532 -0.036115
H 4.714696 -1.991381 -1.415962
H 4.404180 0.634923 -1.069999
H 4.761872 1.328221 0.527664
H 6.276615 -0.639654 -0.008871
H 5.286101 -0.945754 1.439007
H -0.596281 -2.939037 1.169664
H -0.857295 5.068309 -0.319841
H -1.508611 4.180572 1.078208
H -2.634109 3.510474 -1.090398
H -1.052978 2.938755 -1.728166
H 0.459830 2.598875 0.987760
H 1.111010 3.475605 -0.412055
H -4.768149 -0.374657 0.132636
H -2.819553 -3.800579 1.972967
H -4.919080 -2.524906 1.423523
H 2.260721 4.229525 1.714316
H 0.686409 4.696781 2.416907
H 1.334200 5.585020 1.008943


