%chk=000003084.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003084

0 1
 O    1.548400       2.193400       2.581400    
 O    2.930800       3.326200      0.4536000    
 O   -2.227500       2.820100      -2.011600    
 O   -5.611300      -1.565700      0.3824000    
 O   -1.829400       2.540500      0.2078000    
 O   -4.687800      0.2582000       1.373900    
 O    2.893100      -3.724800      -2.328700    
 O   0.4212000      -2.922500       3.441600    
 O    1.101000     -0.3394000      -3.144200    
 O  -0.4239000       1.232300      -3.299100    
 O    3.105000      -1.833100      -1.088200    
 O    2.046400      -1.583800       2.588000    
 N   -2.356200     -0.1465000     -2.2700001E-02
 N   0.6778000      -2.325400      0.1046000    
 N   0.4535000      0.6142000      -2.651100    
 C   -1.038500     -0.6184000     -0.4674000    
 C  -0.7346000      -1.964100      0.2200000    
 C   2.8999999E-02  0.4395000     -0.2427000    
 C   -2.923400      0.7698000      -1.008000    
 C   -3.248800      -1.280200      0.2021000    
 C   0.7229000       1.007600      -1.311000    
 C   0.3093000      0.8408000       1.063400    
 C   0.9506000      -2.907600      -1.208900    
 C    1.055200      -3.258400       1.165600    
 C    1.283400       1.810500       1.301100    
 C    1.697100       1.977100      -1.073300    
 C    1.977200       2.378700      0.2328000    
 C   -2.261500       2.111300     -0.8546000    
 C   -4.567000     -0.7618000      0.7073000    
 C    2.416400      -2.754600      -1.508000    
 C    1.232200      -2.486900       2.444100    
 C   0.7921000       3.285200       3.101000    
 C    4.267200       2.867700      0.6485000    
 H   -1.108500     -0.8684000      -1.532200    
 H  -0.9533000      -1.852900       1.290100    
 H   -1.349100      -2.789700     -0.1641000    
 H   -3.990600      0.9755000     -0.8772000    
 H   -2.803500      0.3990000      -2.033000    
 H   -3.421700      -1.846000     -0.7221000    
 H   -2.950600      -1.957400       1.008000    
 H  -0.2265000      0.4100000       1.905700    
 H   0.4058000      -2.420300      -2.019800    
 H   0.6762000      -3.969900      -1.232200    
 H    2.021300      -3.742400      0.9758000    
 H   0.3193000      -4.061900       1.293300    
 H    2.241900       2.425500      -1.901400    
 H   -1.804600       3.696800      -1.890600    
 H   -6.460200      -1.222700      0.7346000    
 H   0.9601000       4.188400       2.506000    
 H  -0.2744000       3.038900       3.117300    
 H    1.123300       3.474600       4.125700    
 H    3.845500      -3.599800      -2.528200    
 H   0.5608000      -2.419700       4.272200    
 H    4.326400       2.213300       1.524000    
 H    4.624500       2.339000     -0.2409000    
 H    4.906700       3.738200      0.8188000    


%chk=000003084-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003084

0 1
O 1.431863 2.151838 2.353543
O 3.471762 2.687892 0.320886
O -3.884321 3.208037 -0.528565
O -5.655552 -1.636163 0.668791
O -2.518313 2.483776 1.199269
O -4.997079 0.578019 0.898724
O 2.603020 -4.159048 -2.586741
O 1.115267 -0.854016 2.797487
O 0.374290 -1.038091 -3.180680
O 1.756014 0.648055 -3.810550
O 3.054661 -2.082719 -1.641709
O 3.177990 -1.007470 1.739482
N -2.380741 -0.133361 -0.222664
N 0.692109 -2.422724 0.057448
N 1.065329 0.030982 -2.912462
C -1.084493 -0.732953 -0.704885
C -0.697359 -1.961419 0.211315
C 0.043762 0.293318 -0.585932
C -2.749958 1.132234 -0.892614
C -3.486781 -1.102854 -0.164965
C 1.068230 0.572380 -1.537575
C 0.159688 0.938570 0.661296
C 0.957278 -3.316242 -1.068943
C 1.438820 -2.729214 1.298107
C 1.278842 1.711290 1.015826
C 2.177474 1.386741 -1.215817
C 2.327841 1.927801 0.074297
C -3.024104 2.285590 0.076488
C -4.743032 -0.582497 0.520131
C 2.305000 -3.069916 -1.750351
C 2.034832 -1.468282 1.938695
C 0.357429 3.048437 2.865236
C 4.282216 2.329550 1.515486
H -1.175583 -1.077346 -1.754288
H -0.841543 -1.632243 1.255934
H -1.403224 -2.801028 0.017206
H -3.636486 1.028025 -1.548814
H -1.919175 1.469222 -1.542105
H -3.805301 -1.471956 -1.174494
H -3.182218 -1.996971 0.402149
H -0.639939 0.778831 1.389517
H 0.200903 -3.143368 -1.855114
H 0.905632 -4.398531 -0.807651
H 2.290888 -3.380458 1.043713
H 0.810858 -3.250493 2.053516
H 2.957103 1.563036 -1.959411
H -4.038280 3.971215 0.091089
H -6.488103 -1.297188 1.096434
H 0.486741 4.051066 2.420097
H -0.646262 2.661543 2.621053
H 0.508278 3.093350 3.954056
H 3.437963 -3.963829 -3.092267
H 1.436490 0.062212 3.053014
H 3.758535 2.620858 2.440201
H 4.484390 1.244057 1.522049
H 5.215047 2.900451 1.395565


