%chk=000029145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029145

0 1
 S    3.157100      0.8859000     -2.9200001E-02
 O   -1.422400      0.8692000      0.2924000    
 O   -1.363000      -1.322800     -0.4210000    
 N    1.217600      -1.575200      0.1796000    
 C   0.6532000     -0.2443000      0.4171000    
 C    1.388600      0.7799000     -0.4486000    
 C  -0.8177000     -0.3308000      4.6900000E-02
 C   -2.813400      0.9382000     -3.7200000E-02
 H   0.7220000     -9.2000002E-03   1.485200    
 H    1.296700      0.5381000      -1.514000    
 H   0.9566000       1.777100     -0.3118000    
 H    2.206100      -1.571300      0.4299000    
 H    1.185400      -1.793300     -0.8162000    
 H    2.990600       1.267400       1.245700    
 H   -3.379100      0.2112000      0.5533000    
 H   -2.957800      0.7639000      -1.107700    
 H   -3.170900       1.942200      0.2061000    


%chk=000029145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029145

0 1
S 3.273873 0.932762 -0.054857
O -1.466450 0.809979 0.426506
O -1.279325 -1.160696 -0.803943
N 1.241636 -1.600108 0.300076
C 0.693934 -0.252209 0.388366
C 1.430407 0.826197 -0.480901
C -0.769240 -0.290974 -0.062043
C -2.889677 0.906897 0.012628
H 0.707936 0.111122 1.435079
H 1.412401 0.545654 -1.547625
H 0.981012 1.824036 -0.350216
H 2.262080 -1.642358 0.362332
H 0.821699 -2.178008 -0.433315
H 3.097440 1.477362 1.208778
H -3.450632 0.033827 0.385109
H -2.966118 0.945521 -1.086868
H -3.251377 1.837196 0.471394


