%chk=000036315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036315

0 1
 O   -3.846200     -0.7361000       1.947300    
 O  -0.6987000       1.245200      0.9669000    
 O   -3.972100      -1.669200     -0.2003000    
 O   0.3547000      -2.835900      -1.072200    
 N  -1.3600000E-02 -0.6840000     -0.1781000    
 N   -1.770400      -2.241600     -0.5201000    
 N    5.470100      0.4984000      0.3729000    
 C   -2.341300      0.1153000     -0.3863000    
 C   -3.357200       1.000700      0.3536000    
 C   -2.293000      0.5453000      -1.863300    
 C  -0.9459000      0.3047000      0.2093000    
 C   -3.460700      0.6305000       1.829200    
 C   -2.797000      -1.331500     -0.3274000    
 C  -0.4013000      -1.977100     -0.6103000    
 C   -4.498600       1.496600       2.530500    
 C   -1.780100       1.941200      -1.992700    
 C    1.394300     -0.3803000     -3.5300002E-02
 C    1.827700      0.9350000     -0.1483000    
 C    2.296800      -1.407700      0.2111000    
 C   -2.472100       2.936700      -2.558100    
 C    4.098000      0.2023000      0.2350000    
 C    3.184900       1.227400     -1.2600000E-02
 C    3.653900      -1.115100      0.3469000    
 C    5.895100       1.780300      0.8988000    
 C    6.472800     -0.4810000      3.5999999E-03
 H   -4.345000      0.8943000     -0.1162000    
 H   -3.090600       2.062700      0.2893000    
 H   -3.287200      0.4440000      -2.319000    
 H   -1.633000     -0.1104000      -2.445500    
 H   -2.511800      0.7475000       2.357500    
 H   -2.049300      -3.209700     -0.6533000    
 H   -5.492200       1.352200       2.091900    
 H   -4.580200       1.217300       3.586600    
 H   -4.238000       2.557700       2.471900    
 H  -0.7663000       2.158800      -1.672700    
 H   -3.905700     -0.9447000       2.895200    
 H    1.165900       1.758700     -0.3912000    
 H    2.003300      -2.436200      0.3875000    
 H   -2.034900       3.924700      -2.653400    
 H   -3.479300       2.787800      -2.931000    
 H    3.501200       2.260300     -0.1275000    
 H    4.335200      -1.931900      0.5681000    
 H    5.282600       2.085900       1.754700    
 H    5.842600       2.553700      0.1255000    
 H    6.931500       1.738700       1.252500    
 H    6.594100      -1.229300      0.7938000    
 H    7.448300     -7.1000000E-03 -0.1539000    
 H    6.214400     -0.9866000     -0.9338000    


%chk=000036315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036315

0 1
O -2.580299 -0.934290 1.820243
O -0.553337 1.532492 0.419992
O -4.039499 -1.435904 -1.117176
O 0.377623 -2.790379 -1.124121
N -0.034919 -0.565212 -0.457717
N -1.809517 -2.027326 -1.119430
N 5.512928 0.332224 0.577165
C -2.413511 0.332445 -0.593174
C -3.372420 0.916060 0.483567
C -2.587131 1.126040 -1.963312
C -0.952429 0.479007 -0.143749
C -3.029636 0.480356 1.921079
C -2.841030 -1.104217 -0.922908
C -0.429557 -1.850882 -0.913716
C -4.228336 0.616397 2.871142
C -2.352938 2.618879 -1.871102
C 1.382981 -0.348154 -0.193044
C 2.095522 0.615908 -0.935815
C 2.050186 -1.086141 0.806434
C -3.230639 3.548405 -2.325369
C 4.156560 0.108465 0.323164
C 3.458438 0.848046 -0.685699
C 3.414783 -0.869504 1.061749
C 6.247355 1.342875 -0.192690
C 6.203086 -0.440767 1.616258
H -4.392560 0.582815 0.217519
H -3.342360 2.017664 0.433777
H -3.613958 0.924095 -2.320459
H -1.890013 0.683052 -2.705653
H -2.178986 1.090406 2.287549
H -2.083031 -2.974605 -1.399578
H -5.048531 -0.050403 2.550699
H -3.951487 0.359459 3.911651
H -4.604618 1.656234 2.874414
H -1.404404 2.942189 -1.421239
H -2.348235 -1.269664 2.721828
H 1.581639 1.195585 -1.710178
H 1.506058 -1.845124 1.377504
H -3.007274 4.619844 -2.270334
H -4.194617 3.266173 -2.767930
H 3.978152 1.605029 -1.278858
H 3.902932 -1.466503 1.836534
H 5.811694 2.355063 -0.064846
H 6.256284 1.110048 -1.277359
H 7.292428 1.379417 0.152975
H 5.750481 -0.283156 2.616841
H 7.256881 -0.124987 1.668952
H 6.184962 -1.528954 1.401520


