%chk=000162569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162569

0 1
 S   -5.305000     -0.1139000      0.1413000    
 S  -0.6186000       1.121100     -0.4128000    
 S    2.257200       2.004400     -3.2699998E-02
 O   -5.785100      0.4441000       1.596800    
 O   -5.667600      -1.515100      3.5399999E-02
 O   -5.686500      0.8485000     -0.8760000    
 N    1.527700     -0.4636000     -0.2036000    
 C   -2.782800     -0.6195000     -0.7348000    
 C   -3.564200      7.1999999E-03  0.4129000    
 C   -1.267200     -0.5708000     -0.5482000    
 C    1.100600      0.7691000     -0.2147000    
 C    3.488900      0.8029000      7.7699997E-02
 C    2.904800     -0.4623000     -3.5599999E-02
 C    4.872400      0.9680000      0.2523000    
 C    3.737000      -1.600900      2.8200001E-02
 C    5.673300     -0.1752000      0.3121000    
 C    5.115100      -1.444000      0.2018000    
 H   -3.079200      -1.670000     -0.8468000    
 H   -3.053000     -0.1293000      -1.679100    
 H   -3.340700     -0.5155000       1.348800    
 H   -3.340600       1.070400      0.5367000    
 H  -0.7939000      -1.065200      -1.403800    
 H   -1.000000      -1.130100      0.3554000    
 H    5.315200       1.955400      0.3393000    
 H    3.311400      -2.596800     -5.6800000E-02
 H    6.746600     -6.9600001E-02  0.4467000    
 H    5.753700      -2.321700      0.2506000    
 H   -5.635500     -0.1670000       2.356000    


%chk=000162569-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162569

0 1
S -3.745617 -0.526044 1.193256
S -0.628345 1.368671 -2.368250
S 2.106088 2.101261 -1.038840
O -2.777555 -0.024704 2.704636
O -4.176007 -2.082889 1.315735
O -4.881744 0.579475 0.863909
N 0.896066 -0.291414 -0.727346
C -2.740358 -0.369292 -1.424975
C -2.239226 -0.314758 0.019599
C -1.584639 -0.277292 -2.439688
C 0.748172 0.874291 -1.315727
C 2.901350 0.823314 -0.016433
C 2.097834 -0.363091 0.012131
C 4.122059 0.906277 0.678359
C 2.534000 -1.485990 0.752665
C 4.543029 -0.226100 1.413418
C 3.756631 -1.408415 1.449002
H -3.263229 -1.329687 -1.608375
H -3.469144 0.443390 -1.599806
H -1.565788 -1.133952 0.308492
H -1.825664 0.662649 0.310412
H -1.971014 -0.319412 -3.470799
H -0.832468 -1.067341 -2.286596
H 4.732994 1.813570 0.656545
H 1.918196 -2.389930 0.772900
H 5.489747 -0.186399 1.962273
H 4.105088 -2.270753 2.026809
H -3.366455 -0.144834 3.503793


