%chk=000096795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096795

0 1
 O   0.4210000     -0.4253000     -0.1272000    
 O   -3.207500       1.550400      0.1134000    
 O   -2.214600     -0.6922000      -1.195700    
 O  -0.7306000       2.996900      0.4850000    
 O    1.544700       1.591500     -0.4722000    
 O   -1.502600      -3.342300      0.8294000    
 O   -4.232500       1.038300       2.119400    
 O   -4.115600      -1.928300     -0.7540000    
 O   -2.106700       3.782500      -1.196000    
 O  -0.7967000      -5.289500     -0.1941000    
 O    7.189000     -0.5156000       1.306400    
 O    7.286900     -0.9291000     -0.8474000    
 N    6.678600     -0.4949000      0.1603000    
 C   -1.998300      0.9485000      0.5670000    
 C   -1.981800     -0.5372000      0.2057000    
 C  -0.8088000       1.678400     -5.6299999E-02
 C  -0.6168000      -1.140400      0.5548000    
 C   0.4991000      0.9473000      0.2551000    
 C  -0.5072000      -2.603900      0.1435000    
 C   -4.249500       1.524200      0.9965000    
 C   -3.322500      -1.414200      -1.531100    
 C    2.803300       1.079200     -0.3172000    
 C   -1.432000       3.954100     -0.1898000    
 C   -5.446700       2.189100      0.3877000    
 C   -3.438700      -1.492900      -3.023200    
 C   -1.539700      -4.686600      0.5687000    
 C   -1.258900       5.279200      0.4885000    
 C    3.391700       1.045800      0.9472000    
 C    3.498900      0.5912000      -1.423400    
 C    4.675600      0.5242000       1.105200    
 C    4.782900      6.9700003E-02  -1.265200    
 C   -2.635100      -5.334300       1.360100    
 C    5.371300      3.6100000E-02 -1.0000000E-03
 H   -1.911300       1.062200       1.657000    
 H   -2.754300      -1.036600      0.8020000    
 H  -0.9247000       1.726800      -1.148000    
 H  -0.4504000      -1.064000       1.637800    
 H   0.7070000       1.021100       1.330600    
 H  -0.6169000      -2.720900     -0.9416000    
 H   0.4873000      -2.982500      0.4118000    
 H   -5.213400       3.231500      0.1567000    
 H   -6.276000       2.166900       1.100500    
 H   -5.748400       1.652300     -0.5152000    
 H   -2.560400      -1.995100      -3.436600    
 H   -4.328200      -2.071800      -3.287800    
 H   -3.540300     -0.4879000      -3.440100    
 H  -0.2020000       5.557300      0.4944000    
 H   -1.817200       6.043200     -6.0100000E-02
 H   -1.649700       5.226800       1.507800    
 H    2.873300       1.437600       1.817600    
 H    3.044700      0.6145000      -2.410200    
 H    5.104000      0.5177000       2.104200    
 H    5.294700     -0.3017000      -2.149300    
 H   -3.598300      -4.898600       1.083200    
 H   -2.659900      -6.404900       1.137200    
 H   -2.446200      -5.204300       2.428500    


%chk=000096795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096795

0 1
O 0.490640 -0.780691 0.011172
O -3.185512 1.312485 0.195405
O -2.254157 -1.110593 -0.970705
O -0.667095 2.764202 0.305359
O 1.543381 1.200612 -0.671497
O -1.562449 -3.638129 1.134199
O -4.090554 0.908552 2.309879
O -4.487448 -1.537320 -0.430305
O -1.018314 3.510271 -1.889234
O -2.435571 -4.453627 -0.879406
O 7.527920 -0.098930 1.186851
O 7.896065 1.398537 -0.496203
N 7.112338 0.693022 0.252296
C -1.921771 0.710159 0.661119
C -1.961685 -0.815880 0.450808
C -0.780293 1.359019 -0.127971
C -0.592020 -1.432846 0.782700
C 0.553022 0.669791 0.228808
C -0.491075 -2.917249 0.404109
C -4.246032 1.299242 1.134074
C -3.576106 -1.488957 -1.286601
C 2.904527 1.007809 -0.385302
C -0.799523 3.764914 -0.690891
C -5.520466 1.774204 0.488350
C -3.676291 -1.859528 -2.742096
C -2.505321 -4.355232 0.364439
C -0.630994 5.126140 -0.058506
C 3.392930 0.131603 0.617287
C 3.792385 1.762270 -1.192199
C 4.780119 0.034647 0.827638
C 5.176487 1.659575 -0.988380
C -3.584848 -4.921422 1.253205
C 5.657020 0.799878 0.028028
H -1.808137 0.909464 1.745512
H -2.751729 -1.254013 1.086131
H -0.954278 1.305434 -1.217154
H -0.411861 -1.296939 1.872684
H 0.832487 0.879656 1.287727
H -0.614670 -3.048563 -0.682850
H 0.470487 -3.336521 0.739296
H -5.318532 2.543541 -0.272917
H -6.212450 2.154152 1.254479
H -5.990945 0.909338 -0.015567
H -3.299088 -2.892773 -2.857275
H -4.726098 -1.825108 -3.067956
H -3.053319 -1.197022 -3.363043
H 0.389211 5.226477 0.351506
H -0.804117 5.908424 -0.810936
H -1.335684 5.247209 0.781537
H 2.707978 -0.494964 1.192845
H 3.375429 2.417013 -1.962204
H 5.195756 -0.630289 1.589162
H 5.888226 2.229299 -1.590853
H -4.419312 -4.196370 1.295371
H -3.969279 -5.858435 0.822256
H -3.215783 -5.086036 2.276319


