%chk=000031951.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031951

0 1
 S   -4.012500      0.2482000     -0.3904000    
 O   -3.453100       1.380000      -1.195100    
 N   0.2579000      -1.526800     -8.0000004E-03
 C    1.375200      -2.338700      0.4897000    
 C   0.7441000     -0.5344000     -0.9825000    
 C  -0.7698000      -2.373400     -0.6132000    
 C    2.335300      -1.461900       1.300000    
 C    1.906500      0.2858000     -0.4718000    
 C    2.695800     -0.1812000      0.5933000    
 C   -1.972900      -1.525400      -1.031900    
 C   -2.608300     -0.7800000      0.1373000    
 C    2.242300       1.491100      -1.103300    
 C    3.785100      0.5810000       1.035000    
 C    3.334400       2.238100     -0.6625000    
 C    4.103600       1.784800      0.4068000    
 C   -4.391300      0.8822000       1.260200    
 C   -5.572300       1.830600       1.236300    
 H    1.908900      -2.819000     -0.3417000    
 H    1.010600      -3.138500       1.146000    
 H  -4.9400002E-02  0.1846000      -1.211000    
 H    1.056100      -1.018500      -1.917500    
 H  -0.3824000      -2.919500      -1.482700    
 H   -1.110900      -3.121700      0.1133000    
 H    3.244000      -2.037300       1.513300    
 H    1.870700      -1.201700       2.259700    
 H   -1.729800     -0.8444000      -1.855000    
 H   -2.724800      -2.206600      -1.454200    
 H   -1.887800     -0.1154000      0.6238000    
 H   -2.976200      -1.494700      0.8810000    
 H    1.654200       1.853700      -1.942600    
 H    4.390400      0.2401000       1.871100    
 H    3.585800       3.173500      -1.154100    
 H    4.951800       2.368900      0.7518000    
 H   -4.615700      3.1800002E-02   1.911500    
 H   -3.507700       1.396100       1.651800    
 H   -5.371200       2.700200      0.6018000    
 H   -6.470400       1.335700      0.8517000    
 H   -5.789900       2.191600       2.246400    


%chk=000031951-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031951

0 1
S -3.683879 -0.014043 -0.104544
O -2.952368 0.533998 -1.521329
N -0.152633 -1.593174 -0.137477
C 1.078665 -2.083086 0.537718
C 0.164635 -0.459633 -1.051151
C -0.880924 -2.680035 -0.838839
C 1.611586 -1.005352 1.498244
C 1.030987 0.604929 -0.391573
C 1.739295 0.348747 0.812547
C -2.326881 -2.304241 -1.235129
C -3.230477 -1.973919 -0.050081
C 1.143751 1.877337 -1.006740
C 2.549304 1.369815 1.371734
C 1.952025 2.887901 -0.445430
C 2.660793 2.633001 0.753252
C -2.451439 0.540645 1.300933
C -2.190727 2.039723 1.169882
H 1.870148 -2.350546 -0.207933
H 0.829223 -3.001578 1.100594
H -0.785252 -0.000373 -1.390430
H 0.694615 -0.839314 -1.965268
H -0.335512 -2.996941 -1.765042
H -0.903257 -3.557086 -0.162719
H 2.590029 -1.319707 1.910708
H 0.913028 -0.920297 2.354815
H -2.321002 -1.420672 -1.916838
H -2.757109 -3.142914 -1.814879
H -2.750428 -2.110934 0.932315
H -4.219649 -2.457066 -0.079764
H 0.584166 2.075309 -1.929429
H 3.099634 1.166843 2.299649
H 2.026443 3.866111 -0.933642
H 3.293450 3.410053 1.197012
H -2.957034 0.253685 2.240541
H -1.551371 -0.078003 1.132223
H -1.865657 2.275810 0.141266
H -3.084532 2.645096 1.405066
H -1.375347 2.338809 1.854043


