%chk=000032170.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032170

0 1
 S    3.401500       1.765900      0.2174000    
 O   -1.320700      0.6286000      -1.866900    
 O    2.042200      -1.903800      0.5278000    
 O    4.160000      -1.072100      0.8772000    
 N   -3.202900     -0.9702000     -0.3721000    
 N   8.8200003E-02 -0.2537000     -0.2082000    
 C   -1.903700      -1.462600     -0.8239000    
 C   -3.066300     -0.2077000      0.8596000    
 C   -1.022900     -0.2353000      -1.047000    
 C   -4.428800      0.3048000       1.319300    
 C   -2.077500      -2.273400      -2.102800    
 C    1.108100      0.7030000     -0.1346000    
 C   0.9303000       2.078900     -0.4107000    
 C    2.390600      0.3838000      0.2179000    
 C   -4.310700       1.124300       2.595100    
 C    2.106000       2.780100     -0.2572000    
 C  -0.3501000       2.709200     -0.8153000    
 C    2.962000     -0.8787000      0.5658000    
 C    2.494700      -3.221100      0.8588000    
 H   -1.476000      -2.124600     -6.1099999E-02
 H   -2.422000      0.6669000      0.7380000    
 H   -2.632900     -0.8350000       1.648400    
 H   -3.837400      -1.754800     -0.2252000    
 H   -4.880900      0.9266000      0.5368000    
 H   -5.108600     -0.5373000       1.497400    
 H   -1.105100      -2.621800      -2.468200    
 H   -2.710200      -3.151200      -1.932900    
 H   -2.529900      -1.676200      -2.903000    
 H   0.2991000      -1.130600      0.2603000    
 H   -3.889900      0.5251000       3.408900    
 H   -3.668400       1.997800       2.443200    
 H   -5.297000       1.479500       2.909700    
 H    2.272800       3.838900     -0.3999000    
 H   -1.215900       2.319500     -0.2773000    
 H  -0.3234000       3.773900     -0.5437000    
 H  -0.4816000       2.700700      -1.900600    
 H    2.868800      -3.242700       1.886400    
 H    1.644700      -3.903500      0.7773000    
 H    3.272000      -3.538500      0.1576000    


%chk=000032170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032170

0 1
S 3.554487 1.846394 0.185834
O -0.825345 0.365134 -2.548388
O 1.772179 -1.712779 0.970718
O 3.994313 -1.027071 1.250470
N -3.043245 -0.654950 -0.447500
N 0.088815 -0.105408 -0.427087
C -1.925907 -1.342326 -1.128767
C -2.985742 -0.532267 1.019199
C -0.842390 -0.280276 -1.465395
C -4.229932 0.198596 1.562031
C -2.409466 -2.022535 -2.419775
C 1.153692 0.818704 -0.367553
C 1.093619 2.204213 -0.809291
C 2.387019 0.470659 0.225382
C -4.214289 0.328709 3.099676
C 2.302618 2.852054 -0.588937
C -0.128786 2.913940 -1.339060
C 2.835629 -0.769560 0.840167
C 2.160332 -3.003750 1.586436
H -1.474366 -2.116797 -0.456635
H -2.081741 0.045966 1.294618
H -2.893621 -1.529178 1.525692
H -3.962194 -0.944309 -0.799609
H -4.283401 1.198691 1.091601
H -5.142468 -0.349837 1.246669
H -1.574110 -2.516923 -2.943718
H -3.177470 -2.783874 -2.190322
H -2.830406 -1.266873 -3.104724
H 0.195425 -0.893016 0.229711
H -4.195306 -0.664498 3.586623
H -3.323996 0.888925 3.441903
H -5.109075 0.865405 3.462756
H 2.532692 3.893780 -0.808749
H -1.008511 2.707411 -0.701458
H 0.034642 4.004959 -1.360127
H -0.386627 2.557634 -2.349769
H 2.554538 -2.836588 2.602320
H 1.234293 -3.596210 1.612238
H 2.932301 -3.499449 0.975122


