%chk=000052929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052929

0 1
 S    1.061500       2.110800      2.4200000E-02
 O    1.842300      -1.354500     -0.3476000    
 O   -3.569200      -1.547000     -1.4000000E-02
 O   0.5466000       3.459200      0.2052000    
 O    2.074400       1.591500      0.9301000    
 O    1.595900     -0.9140000       1.898300    
 N    1.618500       1.940800      -1.581200    
 C  -0.2945000       1.003200      2.0800000E-02
 C  -0.1362000     -0.3395000      0.3638000    
 C   -1.553100       1.488800     -0.3337000    
 C   -1.236600      -1.196700      0.3522000    
 C   -2.495300     -0.7110000     -2.3000001E-03
 C   -2.653600      0.6317000     -0.3451000    
 C    1.162300     -0.8824000      0.7405000    
 C    3.136400      -1.916500     -0.1051000    
 C    3.726900      -2.380200      -1.419700    
 C   -4.826300     -0.9840000     -0.3863000    
 H   -1.700900       2.528400     -0.6125000    
 H   -1.120000      -2.244700      0.6186000    
 H   -3.601400       1.074200     -0.6318000    
 H    1.468500       2.727500      -2.224500    
 H    2.507100       1.446500      -1.728200    
 H    3.784000      -1.156200      0.3453000    
 H    3.041500      -2.765900      0.5802000    
 H    4.719000      -2.815600      -1.271100    
 H    3.079400      -3.127100      -1.890700    
 H    3.809000      -1.543300      -2.121100    
 H   -5.148000     -0.2133000      0.3224000    
 H   -5.567100      -1.789100     -0.3409000    
 H   -4.813800     -0.6193000      -1.419100    


%chk=000052929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052929

0 1
S 1.226112 1.722559 -0.494434
O 1.958942 -1.209401 -0.470911
O -3.958971 -1.361562 0.316863
O 0.714795 3.249823 -0.734851
O 2.285769 1.443340 0.710516
O 0.886352 -2.564962 1.085098
N 1.801471 1.190373 -2.136650
C -0.334280 0.647754 -0.305452
C -0.337018 -0.719178 0.074220
C -1.521258 1.369181 -0.491610
C -1.588734 -1.339190 0.280158
C -2.797723 -0.626828 0.088466
C -2.766867 0.734847 -0.304728
C 0.865436 -1.585404 0.305153
C 3.256007 -1.888110 -0.130000
C 4.364646 -1.146368 -0.867755
C -5.248537 -0.676607 0.156942
H -1.458405 2.428158 -0.765323
H -1.622329 -2.385190 0.597757
H -3.686137 1.306484 -0.456290
H 2.395246 1.929749 -2.543591
H 2.238270 0.258969 -2.054714
H 3.377539 -1.838633 0.965505
H 3.168437 -2.947087 -0.430614
H 5.337481 -1.610434 -0.624021
H 4.233992 -1.202268 -1.963779
H 4.396395 -0.090055 -0.550897
H -5.339354 0.171549 0.861903
H -6.004814 -1.438718 0.391696
H -5.385163 -0.320491 -0.881958


