%chk=000091146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091146

0 1
 S   -2.578800       1.327100      0.1845000    
 O    2.314300       1.316000      0.2542000    
 O   -5.605800      -1.065100     -0.1856000    
 O   -5.489100       1.107800      0.1041000    
 N    1.615300     -0.8378000     -3.1199999E-02
 N   5.6499999E-02  0.9671000      0.1815000    
 N   -1.337300     -0.9232000     -9.4099998E-02
 N   -4.920000     -1.3100000E-02 -3.4899998E-02
 C    3.490300      0.6117000     -0.1672000    
 C    3.091200     -0.8590000      0.1044000    
 C    4.679000       1.126300      0.6450000    
 C    3.709600      0.9552000      -1.649900    
 C    3.665700      -1.875000     -0.8847000    
 C    3.387100      -1.342000       1.537500    
 C    1.298300      0.4110000      0.1293000    
 C   -1.161300      0.3668000      8.0399998E-02
 C   -3.522500     -9.0000004E-02 -2.1400001E-02
 C   -2.692500      -1.183700     -0.1520000    
 H    4.479200       1.100800       1.721300    
 H    5.585600      0.5497000      0.4360000    
 H    4.880600       2.178600      0.4117000    
 H    2.856000      0.6499000      -2.265600    
 H    3.802600       2.039600      -1.784100    
 H    4.615100      0.4845000      -2.045800    
 H    4.760600      -1.858900     -0.8747000    
 H    3.341800      -2.892300     -0.6350000    
 H    3.324800      -1.689300      -1.908700    
 H    2.943100      -2.328700       1.716600    
 H    4.464000      -1.426300       1.717300    
 H    2.963100     -0.6661000       2.288700    
 H   4.3800000E-02   1.976400      0.3134000    
 H   -3.019100      -2.205800     -0.2934000    


%chk=000091146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091146

0 1
S -2.713439 1.485175 -0.040867
O 2.309611 1.372972 0.222457
O -5.661478 -1.235182 0.078095
O -5.676311 1.064311 -0.030196
N 1.624751 -0.833598 -0.199691
N 0.032624 1.019816 0.009522
N -1.431950 -0.906126 0.087658
N -5.067470 -0.083105 0.025872
C 3.595888 0.623229 -0.167278
C 3.130456 -0.890813 0.030014
C 4.704146 1.126808 0.758071
C 3.860461 1.000645 -1.635843
C 3.764835 -1.878403 -0.964950
C 3.329638 -1.398350 1.480003
C 1.296568 0.408194 -0.005755
C -1.199245 0.404636 0.026815
C -3.635308 -0.073798 0.030436
C -2.788038 -1.176646 0.090049
H 4.443758 0.991231 1.819112
H 5.643311 0.581169 0.554053
H 4.889606 2.200568 0.581582
H 3.035352 0.673506 -2.292408
H 3.962571 2.096024 -1.722411
H 4.794606 0.536804 -1.998278
H 4.862766 -1.915791 -0.839266
H 3.360629 -2.887500 -0.776347
H 3.533792 -1.617372 -2.010222
H 2.807054 -2.363291 1.592405
H 4.399589 -1.550796 1.709321
H 2.903218 -0.696476 2.218516
H 0.068240 2.041945 0.026909
H -3.139028 -2.207585 0.140225


