%chk=000080242.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080242

1 1
 S   -2.784100      0.3256000     -0.2030000    
 O   -1.366900     -0.2233000      0.3990000    
 O   -2.892000       1.840300      0.3929000    
 O   -2.635600      0.4320000      -1.642600    
 O   -3.869300     -0.4546000      0.3621000    
 N    1.428500     -0.7317000      0.3281000    
 C   0.4569000      -1.764400      0.6772000    
 C  -0.8629000      -1.484200     -2.0800000E-02
 C    1.508000      0.3656000       1.093000    
 C    2.208700     -0.9157000     -0.7457000    
 C    2.422400       1.363000      0.7855000    
 C    3.140800      4.8799999E-02  -1.101200    
 C    3.245500       1.198600     -0.3245000    
 H   0.8604000      -2.741700      0.3907000    
 H   0.3371000      -1.759500       1.767000    
 H  -0.7271000      -1.472800      -1.107700    
 H   -1.588900      -2.263600      0.2332000    
 H   0.8435000      0.4373000       1.945900    
 H    2.076800      -1.829600      -1.312300    
 H    2.494400       2.254500       1.399200    
 H    3.775800     -9.0599999E-02  -1.969600    
 H    3.968000       1.966600     -0.5843000    
 H   -2.702900       1.928300       1.356600    


%chk=000080242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080242

1 1
S -2.110596 0.490124 -0.333673
O -1.689157 -0.897580 0.856453
O -1.670524 1.804479 0.838953
O -0.991671 0.469342 -1.486009
O -3.679322 0.523030 -0.628687
N 1.327169 -0.792796 0.391908
C 0.535175 -1.977324 0.858919
C -0.891985 -1.997284 0.274252
C 1.204284 0.402491 1.064283
C 2.101710 -0.890422 -0.742955
C 1.878594 1.544074 0.607831
C 2.793466 0.225130 -1.229159
C 2.685341 1.461670 -0.548940
H 1.069147 -2.896633 0.563041
H 0.485622 -1.946751 1.959363
H -0.878988 -1.948482 -0.830863
H -1.400093 -2.926474 0.587987
H 0.553171 0.412294 1.939977
H 2.146414 -1.868052 -1.227770
H 1.757433 2.480913 1.155322
H 3.404302 0.121019 -2.128649
H 3.217195 2.343210 -0.917695
H -2.509586 2.292922 1.094811


