%chk=000077827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077827

0 1
 S    2.162700      -2.606100     -0.5639000    
 O    1.637000       2.371400      0.3614000    
 O   -4.100800     -0.3763000      0.1353000    
 N    1.462700      3.9500002E-02  5.0000002E-04
 C    3.749700     -0.4490000      0.1065000    
 C    3.577000       1.041400     -8.6499996E-02
 C    2.371800      -1.002500     -0.1434000    
 C    2.107900       1.266500      0.1254000    
 C   3.7099998E-02 -6.6799998E-02  3.4400001E-02
 C  -0.7524000      0.9881000     -0.4227000    
 C  -0.5638000      -1.225700      0.5262000    
 C   -2.143000      0.8845000     -0.3881000    
 C   -1.954400      -1.329500      0.5608000    
 C   -2.744100     -0.2744000      0.1035000    
 C   -4.847400      0.7387000     -0.3494000    
 H    4.041000     -0.6804000       1.138000    
 H    4.504300     -0.8593000     -0.5713000    
 H    3.834600       1.346800      -1.105800    
 H    4.170100       1.614900      0.6304000    
 H  -0.3281000       1.887900     -0.8565000    
 H  -4.6000001E-03  -2.035600      0.9785000    
 H   -2.696200       1.736600     -0.7682000    
 H   -2.417800      -2.226300      0.9629000    
 H   -4.661200      0.9152000      -1.414200    
 H   -4.672800       1.634200      0.2566000    
 H   -5.908100      0.4861000     -0.2481000    


%chk=000077827-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077827

0 1
S 1.963696 -2.541556 -0.852988
O 1.635799 2.345524 0.660750
O -4.140449 -0.331688 0.271439
N 1.503901 0.054157 0.012095
C 3.810042 -0.477188 -0.185015
C 3.694864 1.015112 0.197041
C 2.377922 -0.989044 -0.336656
C 2.197231 1.277993 0.335684
C 0.061080 -0.034734 0.049885
C -0.716190 0.923086 -0.634010
C -0.570666 -1.062520 0.793255
C -2.125106 0.862959 -0.585868
C -1.971523 -1.130787 0.842624
C -2.754909 -0.169704 0.152906
C -4.999297 0.633742 -0.419579
H 4.322906 -1.075487 0.588178
H 4.354450 -0.647762 -1.128374
H 4.105363 1.691989 -0.572675
H 4.192122 1.269941 1.148273
H -0.227420 1.723740 -1.195904
H 0.032191 -1.805055 1.322241
H -2.709409 1.617188 -1.120067
H -2.481080 -1.916272 1.407829
H -4.835194 0.606105 -1.514353
H -4.831623 1.661855 -0.043958
H -6.027499 0.318307 -0.190453


