%chk=000095198.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095198

0 1
 S   -2.985900     -4.7600001E-02  8.8399999E-02
 O   -3.361600      -1.322400     -0.4983000    
 O   -3.058000      0.1618000       1.524300    
 N   -3.853100       1.195000     -0.6932000    
 C    1.078000     -0.2859000     -0.3187000    
 C    1.479100       1.102900      0.1970000    
 C    2.072500      -1.353400      0.1568000    
 C    2.914600       1.453800     -0.1872000    
 C    3.507200     -0.9984000     -0.2271000    
 C  -0.3417000     -0.6361000      0.1234000    
 C    3.899200      0.3861000      0.2795000    
 C   -1.350100      0.3443000     -0.4448000    
 H    1.105600     -0.2665000      -1.417200    
 H    1.374600       1.144300       1.288600    
 H   0.8363000       1.884500     -0.2190000    
 H    1.813600      -2.326600     -0.2772000    
 H    2.008300      -1.464500       1.246900    
 H    3.187200       2.421400      0.2493000    
 H    2.984800       1.563600      -1.276400    
 H    3.611100      -1.030800      -1.318700    
 H    4.194000      -1.748300      0.1813000    
 H  -0.4029000     -0.6499000       1.218900    
 H  -0.5899000      -1.651200     -0.2113000    
 H    4.907200      0.6353000     -7.0600003E-02
 H    3.934500      0.3768000       1.375800    
 H   -1.170800       1.365800     -0.1006000    
 H   -1.341400      0.3220000      -1.539200    
 H   -3.744000       2.152500     -0.3369000    
 H   -3.949400       1.142200      -1.714800    


%chk=000095198-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095198

0 1
S -3.092453 -0.019260 -0.010062
O -3.427140 -1.446557 -0.716994
O -3.292014 0.209182 1.588651
N -4.078932 1.282964 -0.886915
C 1.162703 -0.195886 -0.322594
C 1.667921 1.177336 0.194904
C 2.094569 -1.335067 0.172317
C 3.148628 1.430183 -0.183437
C 3.572769 -1.084265 -0.210755
C -0.301265 -0.499741 0.107741
C 4.064412 0.286266 0.313256
C -1.299294 0.496838 -0.483753
H 1.206608 -0.183214 -1.435377
H 1.561185 1.199693 1.300817
H 1.038413 1.998588 -0.203105
H 1.750856 -2.305030 -0.239575
H 2.010761 -1.409474 1.277653
H 3.482764 2.400453 0.233190
H 3.233833 1.510606 -1.287739
H 3.674970 -1.110956 -1.316060
H 4.207921 -1.899320 0.187956
H -0.369216 -0.483139 1.213799
H -0.569462 -1.521883 -0.226527
H 5.109712 0.466599 -0.005241
H 4.064051 0.273995 1.423510
H -1.225820 1.519873 -0.083909
H -1.326285 0.504173 -1.585758
H -4.615163 1.804296 -0.170358
H -4.696032 0.803446 -1.566631


