%chk=000052612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052612

0 1
 S    1.702800     -0.8161000      2.5599999E-02
 O    1.616900      -1.562500       1.263700    
 O    1.871700      -1.466600      -1.257800    
 N   0.3954000      0.3236000     -4.0800001E-02
 C  -0.7220000      3.9999999E-02 -0.9630000    
 C   -1.357300      -1.311200     -0.6197000    
 C   -1.749900       1.174600     -0.9088000    
 C   0.9105000       1.719400     -0.1220000    
 C   -2.145500      -1.278800      0.6898000    
 C   -2.536600       1.198200      0.4018000    
 C    2.961700      0.4417000      0.1851000    
 C    2.228300       1.692000      0.6465000    
 C   -3.176100     -0.1543000      0.6995000    
 H  -0.3200000     -2.7000001E-03  -1.983600    
 H  -0.6257000      -2.123600     -0.5806000    
 H   -2.051600      -1.577200      -1.428200    
 H   -2.469800       1.007700      -1.722600    
 H   -1.324400       2.161000      -1.114900    
 H   0.2381000       2.427700      0.3688000    
 H    1.075200       2.012600      -1.164400    
 H   -1.457200      -1.152600       1.534200    
 H   -2.652100      -2.239700      0.8356000    
 H   -3.318000       1.964700      0.3440000    
 H   -1.877700       1.481200       1.230900    
 H    3.409700      0.5939000     -0.8014000    
 H    3.721900      0.1135000      0.8969000    
 H    2.819700       2.596900      0.4792000    
 H    2.023500       1.617900       1.721900    
 H   -3.951400     -0.3637000     -4.7800001E-02
 H   -3.674900     -0.1196000       1.674700    


%chk=000052612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052612

0 1
S 1.715596 -0.862471 -0.053938
O 1.515456 -1.951382 1.132693
O 1.976081 -1.379072 -1.585615
N 0.298033 0.456223 0.015068
C -0.774474 0.095930 -0.977254
C -1.387143 -1.286759 -0.639749
C -1.888508 1.181341 -0.920264
C 1.011519 1.738779 -0.250579
C -2.118256 -1.289746 0.722263
C -2.611395 1.204158 0.446954
C 3.072093 0.467228 0.396482
C 2.274898 1.751203 0.646518
C -3.202058 -0.186674 0.784747
H -0.342036 0.067207 -2.003477
H -0.612413 -2.075067 -0.666260
H -2.102570 -1.527895 -1.452188
H -2.616519 0.926970 -1.716851
H -1.484352 2.179739 -1.174482
H 0.343232 2.565134 0.047022
H 1.275972 1.872080 -1.325575
H -1.376460 -1.134713 1.527428
H -2.575802 -2.283198 0.891727
H -3.411955 1.968997 0.431450
H -1.892436 1.494664 1.237884
H 3.706066 0.491608 -0.502211
H 3.598109 0.057142 1.269135
H 2.890803 2.637310 0.411084
H 1.962207 1.808572 1.702628
H -4.009583 -0.422208 0.059542
H -3.668906 -0.167099 1.788420


