%chk=000116614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116614

0 1
 S   -1.564400      -1.376300      0.2618000    
 O   -1.388300      0.9697000       1.436800    
 N   -8.376900      0.6766000     -0.5645000    
 C    5.670500     -0.1977000     -0.1181000    
 C    7.145500      6.4000003E-02 -0.4381000    
 C    4.738800      0.9006000     -0.6428000    
 C    8.038900      -1.041500      0.1257000    
 C    3.290600      0.6989000     -0.2734000    
 C    2.807900       1.238700      0.9091000    
 C    2.465700     -2.2800000E-02  -1.122800    
 C    9.507800     -0.7680000     -0.1551000    
 C   0.6274000      0.3286000      0.4051000    
 C    1.468300       1.052400       1.250300    
 C    1.126200     -0.2090000     -0.7814000    
 C  -0.7689000      0.1332000      0.7620000    
 C   -3.260500     -0.8649000      5.6499999E-02
 C   -3.581100      0.1292000     -0.8670000    
 C   -4.264400      -1.459600      0.8197000    
 C   -4.907700      0.5290000      -1.027900    
 C   -5.591000      -1.059700      0.6590000    
 C   -5.912700     -6.5399997E-02 -0.2649000    
 C   -7.271700      0.3439000     -0.4300000    
 H    5.370700      -1.163900     -0.5436000    
 H    5.549300     -0.2869000      0.9693000    
 H    7.279100      0.1306000      -1.524600    
 H    7.444300       1.030600     -1.4900000E-02
 H    4.829200      0.9676000      -1.735000    
 H    5.071700       1.876400     -0.2647000    
 H    7.760400      -2.005900     -0.3148000    
 H    7.891100      -1.124500       1.208700    
 H    3.455700       1.801400       1.575200    
 H    2.844500     -0.4417000      -2.050800    
 H    9.826000      0.1742000      0.3023000    
 H    10.12810      -1.571100      0.2550000    
 H    9.696700     -0.7086000      -1.231700    
 H    1.098800       1.474700       2.181200    
 H   0.5014000     -0.7559000      -1.481400    
 H   -2.813300      0.6029000      -1.474000    
 H   -4.032700      -2.235900       1.544700    
 H   -5.142800       1.304900      -1.752700    
 H   -6.363400      -1.532400       1.261100    


%chk=000116614-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116614

0 1
S -1.745951 -0.752203 -1.034953
O -1.375705 1.289435 0.802813
N -8.662110 -0.124112 1.194931
C 5.752067 -0.180674 -0.035585
C 7.283791 -0.097876 -0.216176
C 4.987931 0.828962 -0.941481
C 8.053075 -1.103592 0.670828
C 3.485105 0.764132 -0.738527
C 2.844220 1.580165 0.232627
C 2.686549 -0.145639 -1.482710
C 9.584146 -1.009280 0.494808
C 0.667556 0.577381 -0.295391
C 1.458615 1.493409 0.453986
C 1.299043 -0.243121 -1.268048
C -0.792357 0.547485 -0.015096
C -3.457924 -0.533473 -0.414287
C -4.074106 0.738727 -0.347200
C -4.181249 -1.699118 -0.063673
C -5.412864 0.844548 0.075541
C -5.524842 -1.597197 0.345877
C -6.150171 -0.321904 0.421370
C -7.521838 -0.213603 0.844243
H 5.403577 -1.208672 -0.261195
H 5.489558 0.012114 1.024171
H 7.541238 -0.278098 -1.281055
H 7.626651 0.932203 0.016222
H 5.240464 0.615501 -1.998322
H 5.357068 1.849366 -0.719887
H 7.714436 -2.132644 0.433370
H 7.790004 -0.927602 1.733702
H 3.442422 2.292731 0.813002
H 3.161391 -0.778559 -2.241622
H 9.951848 0.000979 0.755979
H 10.110611 -1.737075 1.138947
H 9.876967 -1.211770 -0.552802
H 0.964075 2.126050 1.198282
H 0.711024 -0.950903 -1.862157
H -3.514555 1.637696 -0.614324
H -3.693393 -2.677735 -0.106051
H -5.893076 1.825993 0.134180
H -6.088490 -2.495630 0.614964


