%chk=000071314.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071314

0 1
 S    7.081500     -0.2217000      3.0099999E-02
 O    7.589800     -0.1133000       1.390100    
 O    7.504500      -1.331400     -0.8132000    
 C   -3.946100      -1.852200      1.3100000E-02
 C   -5.520300      0.7717000      6.9600001E-02
 C   -5.425000      -1.738900      0.4453000    
 C   -6.140200     -0.6028000     -0.2660000    
 C   -3.259200     -0.4810000     -1.8100001E-02
 C   -3.988200      0.7337000     -1.9999999E-04
 C   -3.856900      -2.482700      -1.394400    
 C   -3.269600      -2.813400       1.019600    
 C   -6.118800       1.779300     -0.9409000    
 C   -5.940300       1.204100       1.492100    
 C   -1.850200     -0.4200000     -0.1058000    
 C   -3.270400       1.950800     -9.3000000E-03
 C   -1.168000      0.7948000     -0.1332000    
 C   -1.878800       1.982000     -7.6399997E-02
 C   0.2838000      0.8166000     -0.2168000    
 C   0.8952000       2.009500     -0.9234000    
 C    1.096900     -0.1526000      0.2863000    
 C    2.565100     -0.1684000      0.2228000    
 C    3.194800     -0.7677000     -0.8582000    
 C    3.298600      0.4150000       1.245900    
 C    5.337100     -0.2009000      0.1046000    
 C    4.588300     -0.7842000     -0.9177000    
 C    4.692200      0.3987000       1.186500    
 C    7.504400       1.275000     -0.8325000    
 H   -5.494600      -1.587400       1.529900    
 H   -5.951700      -2.680400      0.2418000    
 H   -6.112300     -0.7794000      -1.348700    
 H   -7.202500     -0.6162000      1.0400000E-02
 H   -4.396000      -3.436200      -1.435300    
 H   -4.276200      -1.826800      -2.165100    
 H   -2.818000      -2.685400      -1.680400    
 H   -2.253600      -3.090500      0.7198000    
 H   -3.208500      -2.362900       2.017300    
 H   -3.836100      -3.748200       1.109200    
 H   -5.864000       2.816700     -0.7005000    
 H   -5.762500       1.578700      -1.958300    
 H   -7.213700       1.719000     -0.9522000    
 H   -5.507100      0.5570000       2.262500    
 H   -5.613200       2.226600       1.715100    
 H   -7.030000       1.180000       1.607000    
 H   -1.294500      -1.351100     -0.1845000    
 H   -3.792900       2.902500      4.6200000E-02
 H   -1.393600       2.953700     -6.8300001E-02
 H   0.9059000       2.884600     -0.2645000    
 H   0.3310000       2.257300      -1.830500    
 H    1.923600       1.843000      -1.256300    
 H   0.6834000      -1.007300      0.8170000    
 H    2.622800      -1.224500      -1.661600    
 H    2.807900      0.8864000       2.093400    
 H    5.069900      -1.250900      -1.772300    
 H    5.254800      0.8651000       1.990300    
 H    7.061200       1.248000      -1.829800    
 H    7.131400       2.129500     -0.2646000    
 H    8.592600       1.325800     -0.9096000    


%chk=000071314-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071314

0 1
S 7.159597 -0.586121 -0.095435
O 7.498431 -1.632331 1.118546
O 7.607204 -0.863223 -1.646717
C -3.831703 -1.827817 0.248601
C -5.637968 0.712091 0.161856
C -5.272682 -1.745206 0.827737
C -6.162351 -0.748774 0.068466
C -3.278478 -0.408529 -0.021004
C -4.113536 0.750928 -0.083036
C -3.840447 -2.631115 -1.088305
C -2.952480 -2.592597 1.279671
C -6.403476 1.559540 -0.894934
C -5.935365 1.296835 1.577546
C -1.889458 -0.260400 -0.263784
C -3.496277 2.001715 -0.354883
C -1.272072 0.987498 -0.539794
C -2.116850 2.130417 -0.586187
C 0.202923 1.075582 -0.766435
C 0.693168 2.069151 -1.807210
C 1.042661 0.272997 -0.021793
C 2.504562 0.108441 -0.095552
C 3.278293 0.302297 -1.282293
C 3.186007 -0.339130 1.079674
C 5.292882 -0.281467 -0.085123
C 4.674735 0.107007 -1.284603
C 4.580290 -0.534505 1.099316
C 7.929233 1.097608 0.403093
H -5.217270 -1.455259 1.895785
H -5.722744 -2.757092 0.799377
H -6.224702 -1.043102 -0.998233
H -7.196358 -0.780433 0.464450
H -4.197759 -3.663322 -0.910672
H -4.496762 -2.162121 -1.842859
H -2.825021 -2.688290 -1.520477
H -1.947360 -2.827579 0.886392
H -2.830047 -2.006982 2.209164
H -3.436206 -3.553340 1.539164
H -6.202478 2.641171 -0.795530
H -6.132199 1.253238 -1.921692
H -7.493089 1.414403 -0.768217
H -5.459090 0.699253 2.375207
H -5.554266 2.330646 1.665210
H -7.026301 1.315807 1.762346
H -1.257593 -1.155421 -0.268874
H -4.115149 2.905173 -0.388142
H -1.698206 3.125753 -0.769859
H 0.035862 2.953206 -1.853128
H 0.678018 1.621272 -2.820810
H 1.719203 2.416115 -1.601700
H 0.572080 -0.300598 0.789263
H 2.782349 0.557412 -2.221571
H 2.604495 -0.530407 1.989098
H 5.267411 0.209730 -2.200154
H 5.100510 -0.902727 1.990034
H 7.624530 1.828260 -0.358471
H 7.551108 1.340189 1.405506
H 9.013893 0.920853 0.399278


