%chk=000090337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090337

0 1
 S    2.387800       1.996600      -1.108500    
 S    3.239600      0.7702000       2.057500    
 P    2.870500      0.3779000      0.1754000    
 O    1.695200     -0.7305000     -5.2600000E-02
 O  -0.4212000       1.965600       2.153500    
 O  -0.4990000       1.344300      -2.437300    
 N  -0.1298000       1.926600     -0.1834000    
 C   0.5711000      -2.863400      7.9499997E-02
 C    1.818800      -2.052900      0.4412000    
 C   0.9949000       2.829800     -0.3234000    
 C   -1.798700      0.6839000      0.7114000    
 C   -1.821000      0.4987000     -0.6631000    
 C  -0.7056000       1.602600       1.027200    
 C  -0.7426000       1.296400      -1.245900    
 C   0.3838000      -2.951400      -1.436600    
 C   0.6501000      -4.262400      0.6865000    
 C    4.269300     -0.4202000     -0.6582000    
 C   -2.700100      5.7700001E-02   1.547300    
 C   -2.746000     -0.3227000      -1.274100    
 C   -3.647200     -0.7791000      0.9502000    
 C   -3.669900     -0.9676000     -0.4468000    
 H  -0.3080000      -2.351200      0.4899000    
 H    1.936600      -2.019100       1.528700    
 H    2.707400      -2.525700      1.2400000E-02
 H    1.289800       3.230800      0.6500000    
 H   0.6833000       3.656300     -0.9692000    
 H  -0.5154000      -3.526100      -1.682700    
 H    1.239700      -3.440500      -1.914100    
 H   0.2716000      -1.957100      -1.880600    
 H  -0.2537000      -4.837100      0.4578000    
 H   0.7441000      -4.208500       1.776300    
 H    1.511400      -4.816900      0.2987000    
 H    4.615100      -1.296100     -0.1024000    
 H    3.983300     -0.7348000      -1.666100    
 H    5.106100      0.2803000     -0.7381000    
 H   -2.682200      0.2014000       2.621200    
 H   -2.762500     -0.4691000      -2.347700    
 H   -4.377000      -1.293700       1.569800    
 H   -4.416800      -1.624900     -0.8843000    


%chk=000090337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090337

0 1
S 1.569173 0.906158 -1.745042
S 3.570417 0.806333 1.365993
P 3.274670 -0.087803 -0.490490
O 2.970339 -1.799026 -0.507996
O -0.554512 -0.338505 0.999815
O -1.460568 3.567009 -1.477117
N -0.659797 1.692939 -0.239493
C 1.815950 -3.841163 0.155225
C 2.073415 -2.376945 0.538147
C 0.755398 1.965787 -0.381440
C -2.699260 0.685774 0.264818
C -2.975649 1.855828 -0.484099
C -1.216291 0.557273 0.423098
C -1.679534 2.517548 -0.828609
C 3.123883 -4.662685 0.119168
C 0.794636 -4.439824 1.153297
C 4.678350 -0.062469 -1.705448
C -3.729477 -0.144529 0.730674
C -4.290564 2.234599 -0.793406
C -5.063641 0.229058 0.422683
C -5.340005 1.400038 -0.328223
H 1.365249 -3.844164 -0.857434
H 1.134962 -1.795964 0.576905
H 2.587988 -2.299792 1.516333
H 1.308721 1.750090 0.554185
H 0.876524 3.016978 -0.679590
H 2.925908 -5.701480 -0.203646
H 3.587469 -4.701616 1.124015
H 3.852009 -4.213251 -0.577840
H 0.558456 -5.485197 0.883668
H -0.149384 -3.864006 1.162762
H 1.203181 -4.442000 2.182125
H 5.537340 -0.584969 -1.257300
H 4.359782 -0.577256 -2.625356
H 4.938032 0.983064 -1.925694
H -3.505052 -1.045321 1.310319
H -4.491171 3.140710 -1.373368
H -5.894386 -0.394967 0.768910
H -6.379760 1.661846 -0.551151


