%chk=000115080.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115080

0 1
 O  -0.4523000      -1.778800      -2.072600    
 O   -1.362900       3.721100      -1.810000    
 O    1.125100       2.595200      -2.054500    
 O    2.402400      -1.701600      0.9292000    
 N   -1.190900     -0.8731000      -1.337100    
 N   0.5332000      0.7434000     -0.7678000    
 N   0.1632000      -1.071400      0.5986000    
 N    4.792100      0.4454000      0.7833000    
 N    6.084300      -1.185600      7.4000000E-03
 C   -1.688400      0.6813000      0.4401000    
 C  -0.5336000     -0.1215000     -0.2486000    
 C   -1.468100      0.9390000       1.932000    
 C   -2.856800     -0.2452000      0.1468000    
 C   -1.908100       1.993600     -0.2926000    
 C   -2.515000      -1.094500     -0.9175000    
 C  -0.2763000       1.902900       2.100700    
 C   -2.730700       1.606300       2.514100    
 C    1.760400      0.1855000     -0.4514000    
 C   0.3058000       1.952400      -1.401400    
 C   -1.050000       2.538500      -1.170000    
 C   -1.178500     -0.3127000       2.752900    
 C    1.542600     -0.9902000      0.4415000    
 C   -4.113600     -0.2993000      0.7283000    
 C   -3.422600      -2.011400      -1.418500    
 C   -5.031700      -1.226600      0.2316000    
 C    2.989500      0.5889000     -0.7802000    
 C   -4.689600      -2.074600     -0.8339000    
 C  -8.3499998E-02 -0.5731000       3.477800    
 C  -0.3266000      -2.999500      -1.336500    
 C    4.250300     -3.2200001E-02 -0.3351000    
 C    5.002900      -1.007000     -0.8186000    
 C    5.927400     -0.2953000      0.9617000    
 H   -2.862300       2.501300     -0.1665000    
 H  -0.2828000      -1.841200       1.087000    
 H  -0.1270000       2.163600       3.157900    
 H   0.6773000       1.512000       1.742100    
 H  -0.4437000       2.867600       1.609700    
 H   -3.386200      0.8991000       3.034200    
 H   -3.318700       2.224100       1.833900    
 H   -2.436100       2.297300       3.317800    
 H   -1.956600      -1.075200       2.762700    
 H   -4.481700      0.3647000       1.490400    
 H   -3.170600      -2.668200      -2.244200    
 H   -6.029700      -1.280800      0.6586000    
 H    3.132600       1.458300      -1.413600    
 H   -5.421600      -2.784200      -1.210400    
 H  -1.6100001E-02  -1.510700       4.021400    
 H   0.7647000      9.3099996E-02   3.564500    
 H  -0.5986000       3.964800      -2.360400    
 H  -0.5608000      -3.813900      -2.030400    
 H  -0.9884000      -3.119900     -0.4740000    
 H   0.7160000      -3.135700      -1.037400    
 H    4.457100       1.188200       1.384800    
 H    4.868500      -1.614200      -1.701600    
 H    6.590100     -0.1377000       1.800900    


%chk=000115080-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115080

0 1
O -0.314067 -1.902617 -1.821588
O -1.422902 3.355542 -2.143058
O 1.104424 2.462933 -2.112486
O 2.506841 -1.596761 1.318013
N -1.128793 -0.945364 -1.116825
N 0.589572 0.719399 -0.615475
N 0.289509 -0.938581 0.897760
N 4.831840 -0.795128 0.276587
N 6.717770 -0.006384 -0.712769
C -1.749384 0.657254 0.562333
C -0.486483 -0.122381 -0.031333
C -1.579428 1.116832 2.091445
C -2.890311 -0.354767 0.257448
C -2.024652 1.847760 -0.355411
C -2.459779 -1.245470 -0.765378
C -0.238151 1.869396 2.292879
C -2.704974 2.134014 2.478961
C 1.887487 0.183597 -0.324248
C 0.271460 1.814983 -1.388266
C -1.135676 2.307058 -1.278907
C -1.740273 -0.082004 3.032178
C 1.660322 -0.868372 0.697766
C -4.230912 -0.409863 0.679620
C -3.319313 -2.187695 -1.363301
C -5.107948 -1.370953 0.113787
C 3.070394 0.627747 -0.888301
C -4.654385 -2.246376 -0.900749
C -0.880012 -0.481883 4.003524
C -0.137276 -3.232023 -1.130740
C 4.413497 0.195851 -0.631636
C 5.616397 0.662998 -1.226322
C 6.201221 -0.882930 0.195379
H -3.014788 2.307918 -0.292265
H -0.142996 -1.457164 1.664165
H -0.204636 2.296729 3.311219
H 0.646969 1.225897 2.171568
H -0.159062 2.707670 1.578533
H -3.722590 1.734469 2.344840
H -2.615524 3.060981 1.886381
H -2.589311 2.398458 3.544797
H -2.691840 -0.623628 2.924442
H -4.619958 0.274615 1.437792
H -2.967764 -2.828308 -2.177284
H -6.145513 -1.425006 0.458722
H 2.975562 1.422784 -1.636104
H -5.346450 -2.970192 -1.344781
H -1.127678 -1.317991 4.667755
H 0.082903 0.011771 4.177202
H -0.576496 3.560779 -2.641133
H 0.150539 -3.905648 -1.953130
H -1.085165 -3.570711 -0.677598
H 0.663418 -3.183749 -0.375756
H 4.142287 -1.314849 0.862920
H 5.723606 1.435484 -1.986058
H 6.793871 -1.573821 0.789988


