%chk=000131880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131880

0 1
 S   0.3836000       1.219700     -0.7653000    
 S   -1.384200     -0.9993000      0.9535000    
 O    3.127700      0.2815000      -1.112200    
 O   0.3151000      -3.308200       1.652300    
 C    4.519000      -2.016100     -0.3202000    
 C    3.073300      -1.791500      3.5000001E-03
 C    5.359600     -0.8874000      0.2967000    
 C    4.716700      -2.025100      -1.845100    
 C    4.978100      -3.366800      0.2537000    
 C    2.455200     -0.5275000     -0.4767000    
 C    2.348800      -2.674900      0.6945000    
 C    1.012100     -0.2895000     -0.1592000    
 C   0.2967000      -1.190300      0.5374000    
 C   0.9260000      -2.455600       1.013800    
 C   0.7443000       2.276100      0.6510000    
 C   -2.134500      -1.769900     -0.4941000    
 C   0.3035000       3.696300      0.4265000    
 C   -3.636900      -1.759500     -0.4280000    
 C  -0.9790000       4.081700      0.7947000    
 C    1.183700       4.604700     -0.1465000    
 C   -4.338400     -0.6848000     -0.9584000    
 C   -4.304200      -2.824400      0.1629000    
 C   -1.388100       5.398800      0.5865000    
 C   0.7745000       5.921900     -0.3548000    
 C   -5.731800     -0.6749000     -0.8971000    
 C   -5.697700      -2.814400      0.2244000    
 C  -0.5114000       6.319000      1.1800000E-02
 C   -6.411600      -1.739700     -0.3057000    
 H    5.128800     -0.7520000       1.360400    
 H    6.427800      -1.129100      0.2297000    
 H    5.242200      8.0700003E-02 -0.1973000    
 H    4.597400      -1.046400      -2.317200    
 H    4.022100      -2.719600      -2.333000    
 H    5.732000      -2.357200      -2.095700    
 H    4.438200      -4.216200     -0.1821000    
 H    4.905700      -3.407200       1.347400    
 H    6.037600      -3.533700      1.8700000E-02
 H    2.728100      -3.614500       1.076400    
 H    1.820900       2.255000      0.8595000    
 H   0.2533000       1.878100       1.547100    
 H   -1.778600      -2.803400     -0.5852000    
 H   -1.804900      -1.253700      -1.403700    
 H   -1.670700       3.373000       1.241900    
 H    2.187200       4.306200     -0.4368000    
 H   -3.819300      0.1505000      -1.420000    
 H   -3.758400      -3.666200      0.5799000    
 H   -2.389600       5.707900      0.8714000    
 H    1.457000       6.638200     -0.8027000    
 H   -6.287700      0.1622000      -1.309400    
 H   -6.227000      -3.643200      0.6852000    
 H  -0.8301000       7.344500     -0.1506000    
 H   -7.496600      -1.731800     -0.2577000    


%chk=000131880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131880

0 1
S 1.175531 1.654472 -0.827310
S -1.081890 -0.448335 0.223133
O 3.890014 0.406023 -0.935501
O 0.298698 -3.154649 1.099130
C 4.897084 -2.320735 -0.496998
C 3.448480 -1.876906 -0.228907
C 5.876471 -1.478711 0.382032
C 5.235106 -2.111359 -2.007735
C 5.106921 -3.818871 -0.156029
C 3.038170 -0.447796 -0.526934
C 2.496666 -2.714594 0.290322
C 1.608710 -0.056263 -0.338721
C 0.655429 -0.961855 0.110967
C 1.093502 -2.326456 0.542264
C 0.639103 2.413586 0.882895
C -2.167927 -2.061294 0.217865
C -0.152904 3.670240 0.637160
C -3.581667 -1.630373 -0.076738
C -1.552672 3.605332 0.405051
C 0.487839 4.936399 0.623913
C -4.004972 -1.386362 -1.410291
C -4.513917 -1.462670 0.980220
C -2.295721 4.782744 0.173840
C -0.255178 6.115670 0.391782
C -5.333196 -0.993518 -1.681637
C -5.843979 -1.069143 0.710761
C -1.649335 6.041940 0.167138
C -6.256927 -0.834234 -0.621217
H 5.653073 -1.607899 1.457467
H 6.911584 -1.824846 0.203984
H 5.814799 -0.408809 0.130607
H 5.155990 -1.050249 -2.290180
H 4.558850 -2.704517 -2.651182
H 6.270650 -2.449820 -2.197101
H 4.452201 -4.476458 -0.757777
H 4.928831 -4.029090 0.915068
H 6.153165 -4.094046 -0.379236
H 2.721633 -3.749632 0.562599
H 1.582033 2.601702 1.418398
H 0.050796 1.644015 1.406133
H -2.043288 -2.535837 1.198354
H -1.741735 -2.712122 -0.560092
H -2.052207 2.629396 0.401812
H 1.569742 4.995205 0.794419
H -3.288580 -1.502587 -2.232361
H -4.195738 -1.646695 2.013477
H -3.375590 4.720191 -0.001200
H 0.251012 7.087428 0.386424
H -5.648761 -0.812145 -2.715002
H -6.555213 -0.948483 1.535341
H -2.226637 6.955889 -0.012439
H -7.288546 -0.530872 -0.831864


