%chk=000049939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049939

0 1
 S    3.851900     -0.2086000      1.3500000E-02
 O    4.885300       1.020400     -0.2744000    
 O    3.865200      -1.105700      -1.128400    
 O    4.074400     -0.6968000       1.363100    
 C   -1.447600     -0.2932000     -3.1000001E-03
 C  -0.2222000      0.6228000     -1.2000000E-02
 C   -2.744800      0.5186000      2.0900000E-02
 C    1.109400     -0.1329000      5.5599999E-02
 C   -3.973000     -0.3930000     -3.7000000E-03
 C    2.360700      0.7321000     -1.3300000E-02
 C   -5.267800      0.4193000     -1.3700000E-02
 C   -6.491500     -0.4830000     -4.4999998E-03
 H   -1.409700     -0.9485000      0.8754000    
 H   -1.427400     -0.9383000     -0.8896000    
 H  -0.2388000       1.237500     -0.9204000    
 H  -0.2764000       1.314000      0.8382000    
 H   -2.770300       1.146600      0.9198000    
 H   -2.771000       1.191700     -0.8448000    
 H    1.134700     -0.7229000      0.9807000    
 H    1.135200     -0.8616000     -0.7646000    
 H   -3.937500      -1.036000     -0.8916000    
 H   -3.957200      -1.051800      0.8731000    
 H    2.393700       1.430800      0.8286000    
 H    2.358200       1.307600     -0.9450000    
 H   -5.301300       1.077600      0.8622000    
 H   -5.298700       1.060000     -0.9027000    
 H   -6.507700      -1.113200      0.8905000    
 H   -7.405900      0.1184000     -1.2800000E-02
 H   -6.505200      -1.134400     -0.8842000    
 H    4.868000       1.383500      -1.191100    


%chk=000049939-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049939

0 1
S 3.925012 -0.200122 -0.100359
O 4.985909 1.319152 -0.338165
O 4.035034 -1.155901 -1.401727
O 4.193264 -0.829114 1.366793
C -1.475823 -0.249736 -0.008226
C -0.237178 0.674077 -0.064827
C -2.809147 0.531483 -0.014215
C 1.088173 -0.132340 -0.049324
C -4.050654 -0.387840 0.030671
C 2.285889 0.811921 -0.129647
C -5.386099 0.391011 0.027244
C -6.621403 -0.534257 0.068173
H -1.423210 -0.879732 0.903465
H -1.453795 -0.945907 -0.871687
H -0.284992 1.296470 -0.981652
H -0.259174 1.372537 0.796257
H -2.834448 1.223262 0.853548
H -2.858460 1.168260 -0.922229
H 1.141314 -0.735180 0.877537
H 1.103431 -0.834261 -0.904747
H -4.028846 -1.078532 -0.838056
H -4.003443 -1.027099 0.937018
H 2.400962 1.480828 0.737689
H 2.363168 1.368714 -1.076719
H -5.408476 1.079401 0.896714
H -5.431647 1.031419 -0.877341
H -6.615629 -1.163229 0.978411
H -7.562649 0.045463 0.064259
H -6.637902 -1.211723 -0.806381
H 5.943518 1.031975 -0.330778


