%chk=000165566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165566

0 1
 S  -0.3780000       1.928900       1.585500    
 O   -1.012800       3.283100       1.705900    
 O   -4.504000      -1.595000     -0.8591000    
 N   0.1088000     -7.5300001E-02 -0.7280000    
 N    2.973400      -2.613300       1.243600    
 C    1.816500      -1.884100     -0.8346000    
 C   0.5421000      -1.276700      -1.447500    
 C    1.705700      -2.167000      0.6758000    
 C   -1.218700     -3.1900000E-02 -0.2456000    
 C   0.9775000       1.039200     -0.7113000    
 C    2.231600      -3.161200      -1.574100    
 C   -1.590000      0.8955000      0.7456000    
 C   0.8078000       2.064800      0.2371000    
 C   -2.232800     -0.8620000     -0.7689000    
 C    2.002500       1.203400      -1.667300    
 C   -2.921000      0.9690000       1.192900    
 C    1.644000       3.195100      0.2247000    
 C    2.838400      -2.848400       2.682000    
 C    4.027100      -1.630800      0.9858000    
 C   -3.554700     -0.7794000     -0.3246000    
 C   -3.899500      0.1382000      0.6563000    
 C    2.825700       2.332000      -1.678000    
 C    2.645200       3.329600     -0.7317000    
 C   -5.834900      -1.453800     -0.3645000    
 H    2.620100      -1.168400      -1.010400    
 H   0.6610000      -1.072800      -2.519100    
 H  -0.1865000      -2.090500      -1.392400    
 H   0.9397000      -2.937600      0.8334000    
 H    1.361800      -1.269800       1.204800    
 H    3.208100      -3.531500      -1.247400    
 H    2.302800      -2.972800      -2.651100    
 H    1.497600      -3.960400      -1.423900    
 H   -2.045800      -1.556600      -1.583000    
 H    2.166800      0.4801000      -2.461300    
 H   -3.205700       1.668200       1.976200    
 H    1.531400       3.978500      0.9709000    
 H    2.064600      -3.599000       2.878200    
 H    2.579500      -1.934300       3.228700    
 H    3.771100      -3.246600       3.096800    
 H    4.367100      -1.650000     -5.3800002E-02
 H    4.923200      -1.872500       1.571200    
 H    3.726600     -0.6111000       1.253800    
 H   -4.901500      0.2563000       1.053200    
 H    3.600100       2.431100      -2.433100    
 H    3.284000       4.207500     -0.7336000    
 H   -5.897300      -1.705000      0.6997000    
 H   -6.457500      -2.177400     -0.9008000    
 H   -6.241500     -0.4599000     -0.5808000    


%chk=000165566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165566

0 1
S -0.133629 1.849487 1.710280
O -0.733188 3.338511 2.182381
O -4.543272 -1.413046 -0.864183
N 0.148685 -0.177695 -0.612221
N 3.196404 -2.652681 1.341552
C 1.969508 -1.931565 -0.748867
C 0.587504 -1.440109 -1.255096
C 1.872151 -2.375260 0.732884
C -1.196966 -0.039671 -0.150494
C 0.925193 1.007023 -0.804049
C 2.485005 -3.081748 -1.639901
C -1.526519 0.935283 0.829560
C 0.817532 2.099682 0.093354
C -2.262637 -0.797239 -0.693346
C 1.776852 1.185062 -1.931466
C -2.841841 1.190700 1.229242
C 1.442500 3.335829 -0.116091
C 3.101247 -3.556475 2.507160
C 3.946105 -1.421792 1.670820
C -3.592039 -0.581390 -0.255482
C -3.901530 0.426489 0.692826
C 2.449350 2.408826 -2.134347
C 2.273935 3.497576 -1.247689
C -5.949277 -1.215434 -0.499839
H 2.686174 -1.091184 -0.818801
H 0.603478 -1.345992 -2.361741
H -0.161419 -2.213269 -1.011084
H 1.279108 -3.311100 0.774216
H 1.306487 -1.603678 1.315635
H 3.407059 -3.498692 -1.200053
H 2.707123 -2.737159 -2.667604
H 1.739677 -3.898867 -1.709060
H -2.104141 -1.526751 -1.491471
H 1.889851 0.381775 -2.665437
H -3.024567 1.989084 1.957978
H 1.267607 4.145803 0.601911
H 2.615808 -4.502569 2.207958
H 2.521017 -3.124161 3.361935
H 4.115968 -3.794805 2.874312
H 4.090988 -0.803166 0.768990
H 4.945198 -1.690651 2.057682
H 3.432117 -0.790975 2.440391
H -4.928315 0.615264 1.015336
H 3.098225 2.518735 -3.010423
H 2.782537 4.449612 -1.428786
H -6.113572 -1.399439 0.579413
H -6.505093 -1.957076 -1.091784
H -6.292790 -0.195703 -0.760296


