%chk=000093836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093836

0 1
 S   0.5374000     -0.2494000     -0.3797000    
 O    3.682700       1.383900      -1.427200    
 O    3.587000       1.439600      0.8385000    
 N    4.398000      -1.357100      0.4066000    
 C    3.282500     -0.6897000     -0.2673000    
 C    1.961100      -1.076000      0.3998000    
 C  -0.7550000     -0.8771000      0.7154000    
 C   -2.117600     -0.3663000      0.3362000    
 C   -2.892600      -1.085600     -0.5643000    
 C   -2.584500      0.8180000      0.8913000    
 C    3.540900      0.8042000     -0.2085000    
 C   -4.156700     -0.6121000     -0.9160000    
 C   -3.848600       1.291300      0.5395000    
 C   -4.634600      0.5762000     -0.3642000    
 H    3.273600      -1.009500      -1.316500    
 H    1.809600      -2.159300      0.3351000    
 H    1.974800     -0.7959000       1.459700    
 H  -0.5279000     -0.5873000       1.748100    
 H  -0.7515000      -1.973100      0.6890000    
 H   -2.530100      -2.012000      -1.001000    
 H   -1.980600       1.383700       1.595300    
 H    5.261700      -1.179400     -0.1051000    
 H    4.257300      -2.366400      0.3826000    
 H   -4.768600      -1.168700      -1.619800    
 H   -4.220800       2.216800      0.9690000    
 H   -5.618800      0.9450000     -0.6381000    
 H    3.832300       2.350800      -1.357400    


%chk=000093836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093836

0 1
S 0.377120 -1.412896 -0.844221
O 3.700410 1.686635 -0.019110
O 1.923775 0.888464 1.236436
N 4.452320 -1.027873 -0.042063
C 3.082536 -0.600923 -0.411726
C 2.075390 -1.711389 -0.059034
C -0.654376 -0.997955 0.728099
C -1.977799 -0.398743 0.322263
C -3.123814 -1.216821 0.146736
C -2.096202 0.999278 0.103599
C 2.794160 0.687120 0.365471
C -4.362174 -0.652243 -0.233683
C -3.332678 1.566314 -0.274774
C -4.470288 0.741760 -0.445064
H 2.965890 -0.350201 -1.493497
H 2.440480 -2.676357 -0.450959
H 1.954483 -1.796240 1.032713
H -0.033756 -0.293377 1.302413
H -0.783307 -1.941534 1.282843
H -3.042218 -2.298596 0.308961
H -1.213023 1.635872 0.234195
H 5.161631 -0.300786 -0.177697
H 4.721407 -1.929796 -0.446110
H -5.239435 -1.296217 -0.363071
H -3.411535 2.647585 -0.435489
H -5.430456 1.181543 -0.737844
H 3.532459 2.511976 0.511615


