%chk=000129431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129431

0 1
 S   -3.695100      0.3652000     -0.7908000    
 O   -3.160900      7.2400004E-02  0.7362000    
 O   -1.039600       1.935800       1.133700    
 O   -2.011400      -2.536300      0.6061000    
 O   -3.103500       1.597300      -1.272000    
 O   -3.640300     -0.8641000      -1.556000    
 N   -1.812000     -0.2262000      0.7748000    
 C   0.4726000      6.6900000E-02  0.7765000    
 C   0.1410000      -1.430400      0.6560000    
 C    1.206700      0.6006000     -0.4440000    
 C  -0.8721000      0.7440000      0.9245000    
 C   -1.362600      -1.503200      0.6652000    
 C    2.686500      0.3298000     -0.3705000    
 C    3.522900       1.263900      0.2240000    
 C    3.191900     -0.8495000     -0.8988000    
 C    4.893400       1.013400      0.2917000    
 C    4.562400      -1.100200     -0.8311000    
 C    5.413200     -0.1686000     -0.2359000    
 C   -5.393100      0.6892000     -0.3895000    
 H    1.037400      0.2495000       1.699200    
 H   0.5283000      -1.983200       1.517900    
 H   0.5102000      -1.893200     -0.2624000    
 H    1.057900       1.685100     -0.5371000    
 H   0.7913000      0.1855000      -1.372100    
 H    3.127900       2.186400      0.6400000    
 H    2.544200      -1.579300      -1.374900    
 H    5.555800       1.738400      0.7555000    
 H    4.967600      -2.019300      -1.243900    
 H    6.480300     -0.3634000     -0.1836000    
 H   -5.439000       1.547100      0.2838000    
 H   -5.925100      0.9122000      -1.316600    
 H   -5.819600     -0.1980000      8.2300000E-02


%chk=000129431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129431

0 1
S -3.756094 -0.340144 -1.017177
O -3.283929 -0.759332 1.041334
O -1.716690 1.632248 1.131714
O -1.529810 -3.068515 0.897801
O -2.246428 -0.171734 -1.618785
O -4.843858 -1.316222 -1.719493
N -1.929816 -0.730332 1.114733
C 0.295581 0.136980 1.051960
C 0.345799 -1.415784 1.113649
C 0.906193 0.745666 -0.257258
C -1.184789 0.500573 1.123306
C -1.092864 -1.912510 1.015916
C 2.396776 0.468327 -0.374895
C 3.325387 1.137810 0.465492
C 2.889468 -0.474500 -1.312948
C 4.708384 0.870054 0.372999
C 4.274168 -0.746247 -1.408686
C 5.187757 -0.076659 -0.563776
C -4.511989 1.385715 -0.720729
H 0.812179 0.590946 1.916822
H 0.785241 -1.787183 2.056415
H 0.941013 -1.851937 0.293917
H 0.707479 1.833432 -0.235560
H 0.358211 0.331260 -1.123456
H 2.964832 1.884289 1.185379
H 2.186862 -0.986439 -1.982588
H 5.412466 1.400747 1.023778
H 4.637484 -1.474592 -2.142236
H 6.261031 -0.284076 -0.637263
H -3.754416 1.912896 -0.122827
H -4.685309 1.822733 -1.714401
H -5.443118 1.210332 -0.164938


