%chk=000133501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133501

0 1
 S    4.075700      -1.166900      0.2202000    
 O    3.071300       1.278700      -1.662300    
 O    5.480300     -0.4573000     -0.2326000    
 O    3.642400      -1.998500     -0.8989000    
 O    4.313300      -1.789700       1.519200    
 O   -1.256400       1.659400       1.469400    
 N    2.999400      0.1138000      0.4074000    
 N   8.5699998E-02   1.396000     -0.4035000    
 C    1.365000       1.448500      0.2963000    
 C    1.700700      0.1811000       1.111300    
 C    2.596800       1.045100     -0.5751000    
 C   -1.131800       1.508100      0.2569000    
 C   -2.314000       1.419800     -0.6975000    
 C   -3.239500      0.2868000     -0.4070000    
 C   -3.027900     -0.9568000      -1.002500    
 C   -4.316400      0.4705000      0.4605000    
 C   -3.893300      -2.016500     -0.7307000    
 C   -5.181600     -0.5894000      0.7322000    
 C   -4.969900      -1.832800      0.1367000    
 H    1.518300       2.395500      0.8253000    
 H    1.804900      0.3301000       2.189000    
 H    1.073900     -0.6952000      0.9158000    
 H   7.6200001E-02   1.271900      -1.412900    
 H   -2.851500       2.374800     -0.6306000    
 H   -1.976400       1.358800      -1.739500    
 H    5.822300      0.2289000      0.3874000    
 H   -2.191100      -1.112900      -1.678200    
 H   -4.491300       1.433800      0.9324000    
 H   -3.728200      -2.984900      -1.193900    
 H   -6.019800     -0.4467000       1.408000    
 H   -5.643400      -2.658000      0.3486000    


%chk=000133501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133501

0 1
S 3.921166 -0.769248 1.517141
O 1.726513 -1.329680 -1.287732
O 5.090814 -0.680550 0.092975
O 3.702825 -2.322969 1.877026
O 4.323205 0.298670 2.650252
O -0.622953 3.108405 0.357148
N 2.519280 -0.017020 0.626224
N -0.415096 0.892184 -0.270332
C 1.023430 1.019158 -0.403404
C 1.851628 1.307244 0.903172
C 1.771538 -0.355271 -0.531311
C -1.171775 1.997099 0.090242
C -2.699666 1.800471 0.161679
C -3.222849 0.428647 -0.229980
C -3.577858 0.144458 -1.575205
C -3.344779 -0.604130 0.737262
C -4.040224 -1.138649 -1.945538
C -3.806846 -1.888346 0.370267
C -4.154508 -2.159707 -0.973553
H 1.311063 1.715758 -1.211264
H 2.532837 2.166963 0.853113
H 1.258896 1.312395 1.828233
H -0.876443 0.011606 -0.517521
H -2.987187 2.055828 1.198654
H -3.132677 2.591937 -0.477190
H 5.718498 -1.457300 0.178206
H -3.497458 0.933761 -2.332877
H -3.084548 -0.397883 1.782973
H -4.312549 -1.340406 -2.987322
H -3.897566 -2.672926 1.129453
H -4.513011 -3.154498 -1.259390


