%chk=000117057.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117057

0 1
 S    3.183000     -0.1648000      0.2554000    
 O    3.165700       1.098200       1.287000    
 O    2.651100      -1.317700      0.9592000    
 O    4.511500     -0.2228000     -0.3274000    
 O   -3.901700      -1.319000      0.2924000    
 O   -4.187200      0.9273000      0.4908000    
 N    2.072900      0.2846000     -0.9974000    
 C   0.6830000      0.2040000     -0.6810000    
 C  -4.7100000E-02   1.368600     -0.4438000    
 C   5.5399999E-02  -1.039600     -0.6077000    
 C   -2.032300      4.6000000E-02 -6.0100000E-02
 C   -1.404600       1.289700     -0.1332000    
 C   -1.302200      -1.118600     -0.2974000    
 C   -3.447700     -3.5900000E-02  0.2633000    
 H   0.4320000       2.342900     -0.4964000    
 H   0.6088000      -1.954800     -0.8018000    
 H    2.326700       1.152400      -1.489200    
 H   -1.955400       2.208700      4.8700001E-02
 H   -1.751300      -2.106800     -0.2534000    
 H    3.377800       1.973300      0.8854000    
 H   -4.857100      -1.363200      0.5106000    


%chk=000117057-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117057

0 1
S 3.396549 -0.075516 -0.063095
O 3.059235 0.941908 1.471527
O 3.206624 -1.621777 0.344310
O 4.724488 0.460091 -0.788265
O -3.906068 -1.315844 0.639329
O -4.359528 0.913546 0.165219
N 2.005944 0.471032 -1.141040
C 0.656502 0.342800 -0.725707
C -0.207158 1.472535 -0.798233
C 0.149021 -0.921563 -0.315115
C -2.082150 0.070020 -0.085898
C -1.571724 1.327370 -0.501791
C -1.210877 -1.047487 0.013095
C -3.529891 -0.025812 0.234356
H 0.193218 2.450960 -1.088271
H 0.818479 -1.784883 -0.266296
H 2.288054 1.373941 -1.553472
H -2.256523 2.178933 -0.565231
H -1.615314 -2.012018 0.330886
H 3.302936 0.373520 2.259715
H -4.880517 -1.319256 0.837977


