%chk=000113320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113320

0 1
 S  -0.2419000       1.063400     -0.1732000    
 O   -1.409200      -1.231500      0.4005000    
 N    3.601800     -0.1365000      0.2712000    
 C    2.472700      0.7438000     -1.3900000E-02
 C    1.164700     -1.4000000E-02  0.1770000    
 C   -2.940300      0.5682000     -0.1517000    
 C   -4.076700     -0.4326000      4.8200000E-02
 C    4.865900      0.5865000      0.1274000    
 C    3.579500      -1.303200     -0.6117000    
 C   -1.581200     -6.3400000E-02  7.5900003E-02
 C   -5.435400      0.2193000     -0.1497000    
 H    2.539000       1.145400      -1.034400    
 H    2.497900       1.596600      0.6771000    
 H    1.083900     -0.3928000       1.201900    
 H    1.073800     -0.8546000     -0.5155000    
 H   -3.058200       1.401500      0.5510000    
 H   -2.977500      0.9634000      -1.173700    
 H   -3.968000      -1.266600     -0.6555000    
 H   -4.026100     -0.8604000       1.056700    
 H    4.897700       1.446000      0.8064000    
 H    5.021600      0.9486000     -0.8954000    
 H    5.711000     -5.6000002E-02  0.3988000    
 H    4.513200      -1.871300     -0.5151000    
 H    3.468000      -1.030400      -1.667400    
 H    2.794200      -2.012700     -0.3335000    
 H   -6.233300     -0.5154000     -3.0000000E-03
 H   -5.587900       1.033600      0.5659000    
 H   -5.531000      0.6274000      -1.160900    


%chk=000113320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113320

0 1
S -0.315683 1.416597 1.284622
O -0.892210 -1.133563 0.440370
N 3.362947 -0.099006 0.003266
C 2.095575 0.665718 -0.032923
C 1.364775 0.547403 1.319207
C -2.838999 0.361099 0.568726
C -3.462095 -0.132937 -0.762854
C 4.416632 0.461390 -0.865324
C 3.172881 -1.548268 -0.217787
C -1.366036 -0.002129 0.691030
C -4.982124 0.124080 -0.812208
H 1.416341 0.325400 -0.852100
H 2.330527 1.728714 -0.224831
H 1.944527 1.014536 2.129950
H 1.151919 -0.505042 1.569246
H -3.366962 -0.127388 1.413987
H -2.975269 1.451581 0.687648
H -2.964940 0.378502 -1.609654
H -3.250793 -1.212126 -0.874077
H 4.589798 1.521824 -0.609804
H 4.176022 0.400737 -1.957248
H 5.361893 -0.086560 -0.698139
H 4.118791 -2.081820 -0.014979
H 2.852471 -1.788862 -1.262795
H 2.404506 -1.945072 0.466650
H -5.411236 -0.226295 -1.768330
H -5.502654 -0.407836 0.006365
H -5.212406 1.201622 -0.714612


