%chk=000031572.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031572

0 1
 S   -2.415000     -0.6202000      -1.371200    
 O  -0.6064000      -1.625800      0.9240000    
 N   -2.248600      0.7004000      0.9317000    
 C   -1.396300      0.2871000     -0.1872000    
 C   -3.556500       1.017600      0.3385000    
 C   -3.957000     -0.1502000     -0.5527000    
 C  -0.3073000     -0.5881000      0.3306000    
 C    1.096500     -0.2005000      0.1243000    
 C    1.427700       1.143900      5.0600000E-02
 C    2.064400      -1.186300      7.3000002E-03
 C    2.759100       1.511200     -0.1446000    
 C    3.395900     -0.8189000     -0.1877000    
 C    3.743300      0.5298000     -0.2636000    
 H   -1.029300       1.163100     -0.7253000    
 H   -3.494000       1.948200     -0.2407000    
 H   -4.301300       1.173500       1.125500    
 H   -4.319300     -0.9969000      3.8500000E-02
 H   -4.720800      0.1331000      -1.281500    
 H   -1.857700       1.521100       1.392000    
 H   0.6983000       1.937200      0.1772000    
 H    1.809400      -2.241100      6.0199998E-02
 H    3.031500       2.561400     -0.1949000    
 H    4.162200      -1.582900     -0.2810000    
 H    4.780200      0.8159000     -0.4136000    


%chk=000031572-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031572

0 1
S -1.899836 0.288147 -1.558022
O -0.564871 -1.290491 1.504177
N -2.564898 0.484046 1.161593
C -1.382945 0.689500 0.397783
C -3.765358 0.868783 0.406555
C -3.702617 0.188371 -1.002414
C -0.274445 -0.292187 0.775044
C 1.113978 -0.053473 0.281438
C 1.432886 0.995678 -0.623735
C 2.148153 -0.912665 0.744619
C 2.763675 1.180450 -1.053354
C 3.476528 -0.722114 0.319382
C 3.787917 0.326900 -0.580272
H -1.068384 1.740519 0.337810
H -3.780042 1.965889 0.274181
H -4.673597 0.571912 0.958932
H -4.005984 -0.870169 -0.954476
H -4.320676 0.726415 -1.739813
H -2.582227 -0.463817 1.570911
H 0.648436 1.653379 -1.013787
H 1.879905 -1.718171 1.436130
H 3.003077 1.984883 -1.756956
H 4.268892 -1.385055 0.683208
H 4.821434 0.475871 -0.912533


