%chk=000075072.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075072

0 1
 S   -2.635300      0.3565000     -0.2603000    
 O   -1.562400     -0.1060000      0.8927000    
 O   -3.827500       1.086800      0.5824000    
 O   -2.015400       1.354600      -1.112400    
 O   -3.193900     -0.8488000     -0.8449000    
 N   0.6430000       1.476600      0.4333000    
 C    1.934400     -0.4793000     -0.1273000    
 C   0.7333000      0.1427000      0.2730000    
 C  -0.3772000     -0.6648000      0.5034000    
 C    1.992800      -1.874500     -0.2846000    
 C  -0.3194000      -2.051800      0.3469000    
 C    3.052600      0.3330000     -0.3592000    
 C   0.8670000      -2.657700     -4.7499999E-02
 C    2.962600       1.707700     -0.1949000    
 C    1.745400       2.224900      0.1993000    
 H    2.916700      -2.358900     -0.5929000    
 H   -1.197700      -2.663400      0.5347000    
 H    4.000100     -0.1015000     -0.6692000    
 H   0.9162000      -3.735400     -0.1696000    
 H    3.817200       2.350600     -0.3700000    
 H    1.615200       3.292300      0.3436000    
 H   -4.140400      0.5976000       1.379200    


%chk=000075072-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075072

0 1
S -2.168248 1.332409 -0.186023
O -1.676625 -0.503858 0.925755
O -3.828378 0.876569 0.450566
O -2.067207 2.860592 0.306221
O -2.097692 0.948889 -1.751529
N 0.280396 1.165587 0.050430
C 1.918853 -0.652967 -0.058361
C 0.596608 -0.149009 0.209335
C -0.485536 -1.040257 0.593678
C 2.157458 -2.058869 0.063099
C -0.225285 -2.430362 0.619299
C 2.907103 0.322895 -0.416249
C 1.093541 -2.915324 0.387952
C 2.560699 1.676262 -0.522384
C 1.201017 2.069654 -0.320147
H 3.166692 -2.454944 -0.091563
H -1.036029 -3.115525 0.883038
H 3.932735 -0.003746 -0.621342
H 1.274095 -3.992425 0.471116
H 3.303454 2.433262 -0.788673
H 0.857986 3.098059 -0.468108
H -3.738338 -0.085694 0.719590


