%chk=000033975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033975

0 1
 S   -3.109600      0.9731000       1.109600    
 O   -3.291100       2.174500      1.5699999E-02
 O   -4.436400      0.6596000       1.619900    
 O   -2.035200       1.346600       2.016400    
 C    3.502100     -0.8647000       1.268600    
 C    4.257200      0.4682000       1.267400    
 C    3.699300      -1.679300     -1.1900000E-02
 C    3.845200       1.471100      0.1850000    
 C    2.912300      -2.991000      4.3000001E-02
 C    2.359800       1.839100      0.2245000    
 C    1.398400      -2.788300      0.1781000    
 C    2.008800       2.833500     -0.8855000    
 C   0.7501000      -1.928700     -0.9147000    
 C   0.5388000       3.257800     -0.8757000    
 C  -0.7287000      -1.705500     -0.7207000    
 C   0.1797000       4.225900      -1.992200    
 C   -1.178400     -0.6075000      1.2500000E-02
 C   -1.646900      -2.597600      -1.274400    
 C   -2.546200     -0.4014000      0.1917000    
 C   -3.014800      -2.391600      -1.095200    
 C   -3.464400      -1.293500     -0.3620000    
 H    2.443900     -0.6651000       1.457300    
 H    3.856800      -1.457000       2.121800    
 H    5.331600      0.2698000       1.167700    
 H    4.122100      0.9393000       2.249200    
 H    3.414800      -1.104800     -0.8978000    
 H    4.764500      -1.914700     -0.1267000    
 H    4.101900       1.073400     -0.8036000    
 H    4.444500       2.381200      0.3139000    
 H    3.268500      -3.603300      0.8802000    
 H    3.115800      -3.559900     -0.8723000    
 H    2.114800       2.273400       1.201000    
 H    1.740900      0.9487000      0.1017000    
 H    1.161500      -2.376800       1.166300    
 H   0.9274000      -3.780600      0.1656000    
 H    2.638300       3.726500     -0.7854000    
 H    2.246100       2.386000      -1.858700    
 H    1.233100     -0.9497000     -0.9815000    
 H   0.9188000      -2.399000      -1.892400    
 H   0.2992000       3.721200      8.8600002E-02
 H  -9.3999997E-02   2.367300     -0.9664000    
 H   0.3697000       3.778200      -2.972800    
 H  -0.8806000       4.491700      -1.938100    
 H   0.7672000       5.146000      -1.914500    
 H  -0.4563000      8.2099997E-02  0.4396000    
 H   -1.308700      -3.457700      -1.846200    
 H   -3.729600      -3.085700      -1.527600    
 H   -4.534200      -1.149300     -0.2412000    
 H   -2.468800       2.446300     -0.4555000    


%chk=000033975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033975

0 1
S -2.941426 1.134361 0.198611
O -2.549834 2.012050 -1.392882
O -4.530517 1.215294 0.482298
O -1.885718 1.664638 1.309579
C 3.760165 -0.777337 1.206928
C 4.519150 0.504596 0.774839
C 3.708677 -1.864374 0.105146
C 3.754618 1.401927 -0.233264
C 2.845859 -3.098438 0.477258
C 2.555215 2.162344 0.380909
C 1.318308 -2.837166 0.504419
C 1.783643 3.016135 -0.650891
C 0.714832 -2.608321 -0.911860
C 0.627535 3.830611 -0.026431
C -0.751176 -2.211469 -0.869998
C -0.167692 4.639217 -1.074896
C -1.118186 -0.909037 -0.440819
C -1.784897 -3.115385 -1.230014
C -2.479231 -0.582702 -0.396518
C -3.149087 -2.748234 -1.168612
C -3.522972 -1.452371 -0.746794
H 2.734461 -0.505198 1.525570
H 4.252725 -1.210136 2.101629
H 5.494069 0.206457 0.336068
H 4.754850 1.110004 1.674041
H 3.341405 -1.422548 -0.842585
H 4.744812 -2.201064 -0.102307
H 3.402716 0.791627 -1.091017
H 4.458897 2.145158 -0.660260
H 3.163386 -3.465375 1.474544
H 3.053383 -3.921970 -0.237099
H 2.923911 2.817945 1.197561
H 1.849902 1.449681 0.856224
H 1.096802 -1.959471 1.142142
H 0.801529 -3.696785 0.974697
H 2.490566 3.706173 -1.158613
H 1.375627 2.353353 -1.443849
H 1.293402 -1.816184 -1.424408
H 0.839731 -3.532359 -1.507969
H 1.039450 4.522941 0.735816
H -0.054511 3.144871 0.514146
H -0.575770 3.970939 -1.859804
H -1.004989 5.194339 -0.609512
H 0.477066 5.379442 -1.584961
H -0.357947 -0.177003 -0.146021
H -1.514310 -4.123923 -1.563948
H -3.924346 -3.467026 -1.452709
H -4.567732 -1.133630 -0.683875
H -2.487148 2.991207 -1.188207


