%chk=000051832.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051832

0 1
 S    3.739100       1.567700     -0.1846000    
 O    3.042400       2.601500      -1.242400    
 O    3.831000       2.263500       1.090800    
 O    4.927200       1.011400     -0.8132000    
 C   -1.667100      -2.514700      0.2545000    
 C   -2.013700      -1.958900      -1.133900    
 C  -0.1979000      -2.952400      0.4415000    
 C   -3.484800      -1.593200      -1.358200    
 C   -4.039700     -0.4837000     -0.4601000    
 C   -3.333600      0.8607000     -0.6473000    
 C   0.7937000      -1.812900      0.2828000    
 C   -3.922700       1.928500      0.2772000    
 C  -1.8500000E-02  -3.627200       1.807900    
 C   -3.198800       3.265000      0.1158000    
 C    1.756300      -1.895200     -0.7041000    
 C   0.7062000     -0.7260000       1.130800    
 C    2.667800     -0.8492000     -0.8489000    
 C    1.617500      0.3201000      0.9859000    
 C    2.598300      0.2584000     -3.8999999E-03
 C   -3.802700       4.336700       1.009200    
 H   -2.314300      -3.382300      0.4403000    
 H   -1.933100      -1.772400       1.016000    
 H   -1.743800      -2.717500      -1.880100    
 H   -1.386700      -1.088800      -1.355800    
 H   1.3500000E-02  -3.715700     -0.3199000    
 H   -3.613500      -1.297200      -2.406800    
 H   -4.096000      -2.492900      -1.214800    
 H   -5.106200     -0.3601000     -0.6869000    
 H   -3.982400     -0.7925000      0.5899000    
 H   -2.265300      0.7586000     -0.4273000    
 H   -3.422600       1.182300      -1.691800    
 H   -3.848100       1.595800       1.319700    
 H   -4.989000       2.057400      5.4499999E-02
 H  -0.6550000      -4.515700       1.883000    
 H  -0.2831000      -2.961300       2.636500    
 H    1.019000      -3.948400       1.954200    
 H   -2.137300       3.145700      0.3623000    
 H   -3.254500       3.595100     -0.9280000    
 H    1.818900      -2.751300      -1.369000    
 H  -5.0500002E-02 -0.6591000       1.906300    
 H    3.417700     -0.9159000      -1.632000    
 H    1.539800       1.176000       1.650400    
 H   -3.735700       4.051500       2.064000    
 H   -3.269500       5.283500      0.8788000    
 H   -4.856500       4.503700      0.7645000    
 H    2.186100       2.993100     -0.9491000    


%chk=000051832-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051832

0 1
S 3.974281 1.500758 -0.220032
O 3.028168 2.504150 -1.470004
O 4.095413 2.370239 1.139925
O 5.300113 0.911266 -0.937097
C -1.704714 -2.485000 0.252266
C -1.968822 -1.925790 -1.164102
C -0.245142 -2.980385 0.471854
C -3.457011 -1.588753 -1.434845
C -4.075634 -0.520920 -0.497128
C -3.383333 0.860392 -0.556897
C 0.781849 -1.862150 0.289375
C -4.093750 1.927269 0.306747
C -0.090922 -3.648810 1.864940
C -3.404981 3.310508 0.263902
C 1.809111 -1.979040 -0.682385
C 0.743184 -0.695770 1.102008
C 2.777511 -0.966014 -0.856701
C 1.695111 0.333153 0.951608
C 2.686879 0.161720 -0.027933
C -4.121963 4.367861 1.131104
H -2.388536 -3.337754 0.442397
H -1.947893 -1.718705 1.015603
H -1.635989 -2.676283 -1.911348
H -1.342051 -1.028511 -1.331821
H -0.039619 -3.752405 -0.298133
H -3.555976 -1.240685 -2.483604
H -4.053793 -2.521499 -1.357155
H -5.144511 -0.394363 -0.766781
H -4.069439 -0.887665 0.549978
H -2.328122 0.771727 -0.225362
H -3.346855 1.205918 -1.611479
H -4.142864 1.575720 1.359310
H -5.145859 2.032470 -0.032326
H -0.794406 -4.495663 1.964606
H -0.309088 -2.931857 2.678268
H 0.934262 -4.030939 2.017967
H -2.353052 3.205069 0.600035
H -3.358950 3.661231 -0.787323
H 1.853015 -2.873254 -1.314277
H -0.038486 -0.585159 1.861634
H 3.579137 -1.053440 -1.596641
H 1.681214 1.229078 1.580070
H -4.153754 4.055250 2.192165
H -3.610593 5.346819 1.082766
H -5.165823 4.514785 0.794595
H 3.584582 3.307132 -1.691051


