%chk=000072308.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072308

0 1
 S   -1.349000       1.081000      -1.793700    
 O   0.8556000      -1.255900     -0.6157000    
 O   -4.821900     -0.5173000       1.566200    
 O   -1.500700      -3.443700      0.4517000    
 N   -1.487300      -1.340400     -0.5734000    
 N   -3.139400      -1.959900      0.9919000    
 C   -3.198000      0.2580000      2.6000000E-03
 C   -2.094600     -7.9300001E-02 -0.7034000    
 C   -3.965600       1.556200     -5.0200000E-02
 C  -0.2885000      -1.638300      -1.364000    
 C   -3.805100     -0.7559000      0.9181000    
 C   -1.996000      -2.324900      0.2930000    
 C   -5.060600       1.506600      -1.092700    
 C    2.055000      -1.488300      -1.341900    
 C    3.225200      -1.066400     -0.5027000    
 C  -0.2251000       1.825500     -0.6332000    
 C    4.381200     -0.5994000      -1.118300    
 C    3.143300      -1.146400      0.8831000    
 C  -0.5576000       1.891300      0.7217000    
 C   0.9939000       2.346200      -1.073500    
 C    5.469100     -0.2074000     -0.3382000    
 C    4.231100     -0.7541000       1.663200    
 C   0.3241000       2.474600       1.631500    
 C    1.875800       2.929300     -0.1636000    
 C    5.394000     -0.2846000       1.052500    
 C    1.541000       2.993600       1.188900    
 H   -4.394200       1.796700      0.9302000    
 H   -3.310400       2.404400     -0.2740000    
 H  -0.3093000      -1.201300      -2.367200    
 H  -0.2441000      -2.724600      -1.512900    
 H   -3.529300      -2.658000       1.619000    
 H   -5.602700       2.457800      -1.115300    
 H   -5.786800      0.7158000     -0.8765000    
 H   -4.657100       1.330300      -2.095300    
 H    2.027500     -0.9067000      -2.271000    
 H    2.149300      -2.553800      -1.581500    
 H    4.451000     -0.5363000      -2.200700    
 H    2.254800      -1.520000       1.384100    
 H   -1.481700       1.539400       1.153900    
 H    1.274000       2.303000      -2.123300    
 H    6.374700      0.1579000     -0.8135000    
 H    4.173800     -0.8165000       2.746000    
 H   6.2899999E-02   2.529500       2.684500    
 H    2.824200       3.331300     -0.5078000    
 H    6.241200      2.0300001E-02   1.659900    
 H    2.227800       3.447400       1.897300    


%chk=000072308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072308

0 1
S -1.741139 1.310913 -1.814517
O 0.787628 -1.034380 -0.526133
O -4.818914 -0.950368 1.749425
O -1.389163 -3.528207 -0.054930
N -1.543291 -1.268921 -0.731602
N -3.094457 -2.192290 0.806000
C -3.338066 0.149935 0.158473
C -2.232283 -0.031729 -0.651720
C -4.137829 1.431200 0.268505
C -0.281718 -1.425377 -1.450070
C -3.826106 -0.988964 0.965703
C -1.968162 -2.412150 0.008180
C -5.376274 1.437494 -0.667105
C 2.118106 -1.124060 -1.159350
C 3.174838 -1.002569 -0.080608
C -0.208512 2.024574 -1.038452
C 4.335967 -0.223115 -0.299891
C 3.029872 -1.701396 1.144251
C -0.007284 2.037967 0.357409
C 0.714963 2.637860 -1.915099
C 5.349231 -0.152694 0.683784
C 4.036776 -1.623788 2.130956
C 1.143295 2.667014 0.880758
C 1.855833 3.279121 -1.377450
C 5.202259 -0.853767 1.902453
C 2.074846 3.291847 0.018931
H -4.487685 1.521121 1.313026
H -3.495633 2.298420 0.037204
H -0.291109 -0.778580 -2.348033
H -0.178318 -2.491943 -1.724386
H -3.418303 -3.001689 1.345083
H -5.952756 2.370075 -0.531068
H -6.042472 0.587793 -0.437702
H -5.071562 1.372959 -1.727348
H 2.229846 -0.319224 -1.916715
H 2.204794 -2.105826 -1.679113
H 4.446911 0.336041 -1.237423
H 2.120223 -2.285781 1.318282
H -0.722586 1.549142 1.026530
H 0.549663 2.620759 -2.998194
H 6.245375 0.451527 0.502421
H 3.915380 -2.164836 3.076275
H 1.312763 2.661820 1.962680
H 2.570532 3.761713 -2.053350
H 5.984862 -0.798532 2.667617
H 2.965160 3.777591 0.432111


