%chk=000082417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082417

0 1
 S    4.382300       1.407500     -0.4418000    
 O    2.879600       1.653800      0.1518000    
 O    5.341400       2.104300      0.3929000    
 O    4.334200       1.616100      -1.876700    
 C   -3.821000       1.157900      0.4803000    
 C   -4.811100      0.2159000     -0.2135000    
 C   -2.424700       1.137500     -0.1461000    
 C   -6.251700      0.2542000      0.3091000    
 C   -1.432300       2.070100      0.5558000    
 C   -7.177000     -0.7499000     -0.3829000    
 C  -2.8999999E-02   2.032500     -5.4600000E-02
 C   -8.593700     -0.7722000      0.2004000    
 C   0.9281000       2.960100      0.7013000    
 C   -9.513700      -1.793000     -0.4704000    
 C    2.327100       2.961000      9.7000003E-02
 C   -10.92500      -1.721000      9.3300000E-02
 C    4.672000     -0.3139000     -0.1803000    
 C    4.317200      -1.237700      -1.163500    
 C    5.256500     -0.7506000       1.008600    
 C    5.131600      -3.034600      0.2312000    
 C    4.547000      -2.598000     -0.9577000    
 C    5.486200      -2.110800       1.214300    
 C    5.376000      -4.489300      0.4514000    
 H   -3.750100      0.8838000       1.540000    
 H   -4.215800       2.180600      0.4433000    
 H   -4.826700      0.4496000      -1.285700    
 H   -4.431500     -0.8103000     -0.1275000    
 H   -2.034600      0.1126000     -0.1197000    
 H   -2.498400       1.421300      -1.203200    
 H   -6.654300       1.266500      0.1831000    
 H   -6.240900      4.9699999E-02   1.386800    
 H   -1.372100       1.793200       1.615700    
 H   -1.817000       3.096800      0.5179000    
 H   -6.743600      -1.754200     -0.3003000    
 H   -7.228800     -0.5145000      -1.453000    
 H  -7.9999998E-02   2.333700      -1.107800    
 H   0.3481000       1.003300     -3.0099999E-02
 H   -9.031200      0.2294000      0.1036000    
 H   -8.537600     -0.9896000       1.274300    
 H   0.5346000       3.983100      0.7004000    
 H   0.9889000       2.628200       1.745000    
 H   -9.114400      -2.803400     -0.3263000    
 H   -9.548400      -1.607800      -1.550200    
 H    2.289500       3.298100     -0.9449000    
 H    2.969100       3.646400      0.6608000    
 H   -10.92870      -1.927600       1.168300    
 H   -11.56660      -2.459800     -0.3970000    
 H   -11.36250     -0.7307000     -6.8400003E-02
 H    3.854400     -0.9209000      -2.093700    
 H    5.534000     -5.0400000E-02   1.791400    
 H    4.266300      -3.308100      -1.731000    
 H    5.942100      -2.438900       2.144700    
 H    6.368200      -4.763800      7.9800002E-02
 H    5.317000      -4.743500       1.515200    
 H    4.626600      -5.098500     -6.5200001E-02


%chk=000082417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082417

0 1
S 4.526286 1.464860 -0.640161
O 2.939360 1.698370 0.312343
O 5.700284 2.336370 0.060061
O 4.200024 1.657608 -2.218092
C -3.824260 1.081631 0.493735
C -4.817631 0.194193 -0.289745
C -2.418824 1.138402 -0.145959
C -6.222853 0.132877 0.350192
C -1.427374 2.034405 0.630107
C -7.217152 -0.749051 -0.438614
C -0.021954 2.079281 -0.009288
C -8.622737 -0.812566 0.200413
C 0.955723 2.991044 0.763268
C -9.617011 -1.691696 -0.592394
C 2.361073 3.060077 0.147364
C -11.018834 -1.749958 0.052410
C 4.747870 -0.348837 -0.241543
C 4.154081 -1.291244 -1.095649
C 5.515680 -0.689864 0.882468
C 5.114075 -3.061317 0.330713
C 4.347521 -2.656774 -0.795075
C 5.692345 -2.062996 1.159405
C 5.338240 -4.533233 0.623039
H -3.738536 0.704589 1.534548
H -4.234468 2.110621 0.569565
H -4.905146 0.573644 -1.329539
H -4.406072 -0.834014 -0.368899
H -2.005287 0.110467 -0.214647
H -2.505937 1.507791 -1.189313
H -6.632748 1.161385 0.433551
H -6.136590 -0.251295 1.388360
H -1.343866 1.667752 1.674774
H -1.838721 3.064121 0.694120
H -6.806695 -1.777304 -0.523459
H -7.303935 -0.363638 -1.476332
H -0.105314 2.436729 -1.056982
H 0.400083 1.057205 -0.057949
H -9.033883 0.215181 0.287477
H -8.538454 -1.201229 1.237124
H 0.560424 4.027905 0.794416
H 1.042970 2.651644 1.813800
H -9.205385 -2.718156 -0.679498
H -9.700596 -1.302351 -1.627795
H 2.311198 3.312583 -0.930635
H 2.999064 3.792845 0.676715
H -10.966442 -2.163415 1.077486
H -11.709522 -2.384649 -0.533000
H -11.464955 -0.739747 0.122019
H 3.576851 -0.967884 -1.967483
H 5.966552 0.088260 1.506241
H 3.896277 -3.417134 -1.442444
H 6.285832 -2.361682 2.030817
H 6.235145 -4.905719 0.091296
H 5.496782 -4.714012 1.700086
H 4.483045 -5.147879 0.292784


