%chk=000081621.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081621

0 1
 S    2.603100      0.6307000     -0.9720000    
 O   -3.903500      0.7810000      0.5778000    
 O   -3.690900      -1.356200      0.1233000    
 N   -3.207500     -0.2032000      0.2293000    
 C    3.328800     -0.4730000      0.2599000    
 C   0.8754000      0.3823000     -0.6133000    
 C    4.847200     -0.4613000      0.1296000    
 C    2.886900     -4.7699999E-02   1.655000    
 C   8.2199998E-02   1.461200     -0.2232000    
 C   0.3160000     -0.8907000     -0.7237000    
 C   -1.830200     -5.7000001E-03 -5.4400001E-02
 C   -1.270600       1.267200      5.6200001E-02
 C   -1.036800      -1.084700     -0.4443000    
 H    2.990800      -1.498400      7.4900001E-02
 H    5.298100      -1.147400      0.8554000    
 H    5.165600     -0.7876000     -0.8669000    
 H    5.265200      0.5346000      0.3163000    
 H    3.397200     -0.6573000       2.410300    
 H    1.815400     -0.1887000       1.824900    
 H    3.138300      0.9984000       1.864700    
 H   0.5011000       2.460300     -0.1311000    
 H   0.9101000      -1.745100      -1.037800    
 H   -1.858100       2.130800      0.3573000    
 H   -1.439100      -2.089600     -0.5437000    


%chk=000081621-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081621

0 1
S 2.523856 1.068684 -0.299535
O -4.257007 0.788790 -0.381262
O -3.832403 -1.402869 0.103099
N -3.445836 -0.192728 -0.147950
C 3.470004 -0.488495 0.305909
C 0.766886 0.605081 -0.208707
C 4.935175 -0.279648 -0.117246
C 3.307662 -0.674640 1.824127
C -0.167453 1.652607 -0.451302
C 0.290375 -0.707223 0.054210
C -1.998947 0.083281 -0.169793
C -1.547307 1.397813 -0.435290
C -1.090798 -0.970660 0.073819
H 3.042913 -1.340552 -0.252919
H 5.536034 -1.151281 0.201430
H 5.032803 -0.173137 -1.211314
H 5.364491 0.619112 0.361626
H 3.831942 -1.594965 2.146628
H 2.249994 -0.759501 2.126882
H 3.748568 0.180114 2.366609
H 0.193872 2.666936 -0.651049
H 0.983902 -1.532895 0.234656
H -2.277204 2.190329 -0.619248
H -1.476821 -1.974255 0.271121


