%chk=000116834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116834

0 1
 S   0.8934000       1.471200      0.2622000    
 O    1.024400       1.923400       1.641200    
 O    1.064700       2.419800     -0.8293000    
 N   -4.472100     -0.9823000     -0.4783000    
 N   -5.299900      -1.247100      0.5874000    
 C  -0.6818000      0.7503000      4.4399999E-02
 C    2.121300      0.2062000      7.6200001E-02
 C   -1.252800      0.6929000      -1.227000    
 C   -1.369900      0.2329000       1.141900    
 C    2.644000     -4.1700002E-02  -1.178600    
 C    2.528000     -0.5029000       1.190100    
 C   -3.199800     -0.3994000     -0.3032000    
 C   -2.511800      0.1182000      -1.400700    
 C   -2.628800     -0.3420000      0.9682000    
 C    3.610500      -1.036800      -1.324900    
 C    3.494600      -1.497900       1.043800    
 C    4.035900      -1.764900     -0.2136000    
 H  -0.7329000       1.081700      -2.098000    
 H  -0.9401000      0.2607000       2.139400    
 H    2.320100      0.5097000      -2.055700    
 H    2.112700     -0.3178000       2.175800    
 H   -2.945100      7.7600002E-02  -2.396800    
 H   -3.130600     -0.7425000       1.844800    
 H    4.030700      -1.246300      -2.304300    
 H    3.824000      -2.066600       1.908500    
 H    4.787600      -2.540400     -0.3278000    
 H   -4.880900     -0.9548000      -1.405500    
 H   -5.944600      -1.989900      0.3210000    
 H   -5.876000     -0.4251000      0.7646000    


%chk=000116834-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116834

0 1
S 0.932390 1.544773 0.255588
O 1.022157 2.030609 1.819850
O 1.175528 2.550154 -1.018683
N -4.598103 -0.838272 -0.526204
N -5.368331 -1.330729 0.525049
C -0.758073 0.766217 0.018380
C 2.199583 0.138285 0.065191
C -1.316903 0.760113 -1.272394
C -1.445008 0.283119 1.146193
C 2.734877 -0.097824 -1.210596
C 2.591707 -0.557623 1.219355
C -3.319636 -0.303493 -0.322402
C -2.602703 0.218203 -1.442506
C -2.731560 -0.260212 0.974778
C 3.701189 -1.123249 -1.338073
C 3.558866 -1.579715 1.073103
C 4.104564 -1.864130 -0.201522
H -0.765797 1.197761 -2.111444
H -0.989496 0.360355 2.139333
H 2.425945 0.520141 -2.060427
H 2.176235 -0.285385 2.195406
H -3.060538 0.205606 -2.439370
H -3.305459 -0.646611 1.820582
H 4.142203 -1.335037 -2.317915
H 3.890138 -2.143366 1.951741
H 4.855675 -2.654828 -0.306769
H -4.985085 -0.817636 -1.474535
H -5.493355 -2.343034 0.565120
H -6.146210 -0.747991 0.838969


