%chk=000001130.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001130

1 1
 S    1.948200      -1.403100       1.196000    
 O    6.456000      9.1399997E-02  0.4466000    
 N   0.6647000     -0.1068000     -0.4941000    
 N   -3.720100     -0.8639000      4.0399998E-02
 N   -3.346800       1.425300      0.6944000    
 N   -2.122900      -2.001100      -1.293700    
 C    1.855200      0.5579000     -0.4189000    
 C  -0.4220000      0.3112000      -1.382500    
 C    2.705400     -3.1300001E-02  0.4863000    
 C    4.076100      0.3463000      0.8836000    
 C   -1.720500      0.2785000     -0.6599000    
 C   0.5294000      -1.153100      0.2735000    
 C    2.064900       1.745500      -1.260000    
 C    5.162900     -0.3197000      2.0500001E-02
 C   -2.540900     -0.8301000     -0.6145000    
 C   -2.179100       1.388800      1.9300001E-02
 C   -4.056600      0.2813000      0.6640000    
 C   -5.354000      0.2828000       1.399000    
 H  -0.4020000     -0.3228000      -2.275100    
 H  -0.2781000       1.328300      -1.758800    
 H    4.262600      0.1017000       1.937700    
 H    4.198900       1.435800      0.8324000    
 H  -0.3095000      -1.818300      0.3642000    
 H    1.902300       1.520200      -2.318900    
 H    1.405600       2.565200     -0.9571000    
 H    3.091800       2.116500      -1.176700    
 H    5.046100     -5.6200001E-02  -1.036300    
 H    5.111900      -1.410400      0.1021000    
 H   -1.609300       2.312300      4.9300000E-02
 H   -1.618300      -1.910600      -2.165300    
 H   -2.740500      -2.800400      -1.211700    
 H    6.496900       1.059300      0.3618000    
 H   -5.616200     -0.7269000       1.730100    
 H   -5.297500      0.9253000       2.283300    
 H   -6.148400      0.6543000      0.7451000    


%chk=000001130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001130

1 1
S 2.012809 -0.551296 1.821536
O 6.472400 -0.965422 0.303424
N 0.647130 0.600227 -0.046327
N -3.639333 -1.051063 -0.209173
N -3.955993 1.135185 0.809992
N -1.718260 -1.643948 -1.368932
C 1.997059 0.895689 -0.395363
C -0.536781 1.118517 -0.864059
C 2.900334 0.356850 0.511727
C 4.398439 0.378853 0.522262
C -1.870840 0.629967 -0.380386
C 0.491032 -0.137856 1.067494
C 2.308586 1.719662 -1.613576
C 5.044889 -0.964869 0.037389
C -2.398474 -0.676304 -0.663769
C -2.726855 1.487426 0.356979
C -4.368640 -0.150137 0.508584
C -5.726523 -0.563422 0.997472
H -0.329740 0.834587 -1.912950
H -0.490189 2.220645 -0.803883
H 4.781945 0.565744 1.541976
H 4.761133 1.211614 -0.107811
H -0.480188 -0.428389 1.460084
H 2.002730 1.212663 -2.547028
H 1.808667 2.704261 -1.582398
H 3.390982 1.903129 -1.680648
H 4.808485 -1.141992 -1.032135
H 4.641417 -1.804767 0.629005
H -2.407256 2.513528 0.587727
H -0.846729 -1.470991 -1.862568
H -2.214116 -2.520537 -1.538018
H 6.973041 -0.497096 -0.410174
H -5.907283 -1.628321 0.794714
H -5.822013 -0.359325 2.078092
H -6.505667 0.040387 0.496840


