%chk=000052930.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052930

0 1
 S   0.2816000      -2.388400     -2.3900000E-02
 O    1.784100      0.8446000     -0.1203000    
 O   -3.478600       2.159700     -3.5999998E-02
 O    1.318900      -2.146800      0.9670000    
 O  -0.5083000      -3.608700      3.3199999E-02
 O    1.316200      0.3462000       2.077800    
 N   0.9608000      -2.243800      -1.584000    
 C  -0.8134000      -1.022300     -1.3900000E-02
 C  -0.4018000      0.2350000      0.4283000    
 C   -1.297400       1.304400      0.4212000    
 C   -2.120700      -1.210100     -0.4631000    
 C   -2.604600       1.116400     -2.8000001E-02
 C   0.9560000      0.4702000      0.9012000    
 C    3.150400       1.104000      0.2194000    
 C   -3.016200     -0.1408000     -0.4701000    
 C    3.903200       1.503000      -1.040700    
 C    5.368900       1.780200     -0.7590000    
 C   -4.798900       1.897100     -0.5091000    
 H  -0.9827000       2.287500      0.7640000    
 H   -2.463000      -2.177400     -0.8201000    
 H    3.590800      0.1984000      0.6523000    
 H    3.190900       1.913700      0.9571000    
 H   -4.015200     -0.3560000     -0.8336000    
 H    3.812000      0.7077000      -1.790200    
 H    3.434200       2.389600      -1.483900    
 H    5.864700      0.8932000     -0.3520000    
 H    5.885200       2.064700      -1.681100    
 H    5.482300       2.597800     -4.0100001E-02
 H    1.939600      -1.939300      -1.651800    
 H   0.6921000      -2.941600      -2.288500    
 H   -4.796700       1.597300      -1.562600    
 H   -5.357700       2.836700     -0.4456000    
 H   -5.318100       1.172900      0.1277000    


%chk=000052930-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052930

0 1
S 0.634665 -1.869104 -0.615726
O 1.818181 0.895828 -0.361763
O -4.017589 1.933342 0.357416
O 1.699030 -1.851288 0.617211
O -0.102260 -3.275137 -0.978028
O 0.936778 2.292059 1.275837
N 1.320553 -1.314303 -2.208513
C -0.741800 -0.579971 -0.359973
C -0.538074 0.740338 0.117686
C -1.680867 1.535468 0.352223
C -2.023103 -1.089718 -0.610007
C -2.982114 1.039544 0.094487
C 0.780436 1.385784 0.425966
C 3.198203 1.328874 0.040015
C -3.157198 -0.280059 -0.393212
C 4.198855 0.445362 -0.705234
C 5.649381 0.815587 -0.320312
C -5.394665 1.479057 0.123696
H -1.556839 2.549315 0.743171
H -2.121734 -2.123949 -0.957718
H 3.281243 1.212831 1.134980
H 3.304298 2.399574 -0.212955
H -4.151243 -0.686951 -0.596133
H 3.994320 -0.611014 -0.451224
H 4.064932 0.568652 -1.798647
H 5.823022 0.672126 0.761948
H 6.369758 0.178823 -0.862784
H 5.877876 1.869499 -0.565696
H 1.901020 -0.475455 -2.051572
H 1.795975 -2.108586 -2.664671
H -5.554382 1.221170 -0.940627
H -6.025599 2.336182 0.397787
H -5.642461 0.611218 0.763973


