%chk=000112772.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112772

0 1
 S   -6.423800      0.9837000      8.6000003E-03
 O   -2.537200     -0.9108000     -0.2668000    
 O   -5.094600      7.7100001E-02  0.2942000    
 O   -6.147200       2.347500      0.8600000    
 O   -6.416200       1.337900      -1.398500    
 O   -7.578500      0.3228000      0.5877000    
 C    3.692600     -0.5625000      0.2726000    
 C    4.846100      0.3849000     -6.9600001E-02
 C    2.321500     -2.8300000E-02 -0.1474000    
 C    6.223400     -0.1812000      0.2830000    
 C    1.204900     -0.9992000      0.2454000    
 C    7.340400      0.7733000     -0.1461000    
 C  -0.1652000     -0.4802000     -0.2008000    
 C    8.719100      0.1938000      0.1701000    
 C   -1.289800      -1.446500      0.1504000    
 C    9.831800       1.124300     -0.2853000    
 C   -3.612800      -1.786500      4.4799998E-02
 C   -4.914600      -1.150000     -0.4023000    
 H    3.695300     -0.7502000       1.353500    
 H    3.865700      -1.529100     -0.2166000    
 H    4.698400       1.336700      0.4554000    
 H    4.813500      0.6078000      -1.143400    
 H    2.308800      0.1317000      -1.232200    
 H    2.146200      0.9452000      0.3260000    
 H    6.357600      -1.149600     -0.2139000    
 H    6.281500     -0.3605000       1.363300    
 H    1.206400      -1.144200       1.332400    
 H    1.391200      -1.977900     -0.2129000    
 H    7.263600      0.9670000      -1.223000    
 H    7.218700       1.736000      0.3649000    
 H  -0.3677000      0.4942000      0.2612000    
 H  -0.1686000     -0.3038000      -1.283800    
 H    8.838400     -0.7766000     -0.3259000    
 H    8.811600      2.0700000E-02   1.248500    
 H   -1.120900      -2.408600     -0.3479000    
 H   -1.309100      -1.612900       1.234000    
 H    9.760200       2.095400      0.2149000    
 H    9.787100       1.290100      -1.366400    
 H    10.80870      0.6914000     -4.8300002E-02
 H   -3.472000      -2.745700     -0.4652000    
 H   -3.635800      -1.950900       1.128400    
 H   -4.879500     -0.9400000      -1.476700    
 H   -5.756900      -1.816500     -0.1911000    
 H   -6.858400       3.028400      0.8083000    


%chk=000112772-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112772

0 1
S -4.830885 1.598854 0.362749
O -2.874139 -1.185105 -0.400024
O -5.331279 -0.147845 0.913258
O -3.516413 1.226755 -0.768547
O -6.012427 2.256104 -0.495184
O -4.309423 2.264240 1.719948
C 3.451944 -0.627614 0.100803
C 4.547194 0.434806 -0.143724
C 2.033148 -0.134676 -0.261445
C 5.966381 -0.057387 0.219464
C 0.938076 -1.190089 0.013591
C 7.061485 1.009369 -0.006341
C -0.478590 -0.685005 -0.350299
C 8.480814 0.514820 0.355194
C -1.548844 -1.728091 -0.019605
C 9.567897 1.589410 0.136889
C -4.030924 -2.017768 -0.024427
C -5.302038 -1.174850 -0.147239
H 3.472471 -0.933186 1.167987
H 3.687494 -1.538829 -0.488307
H 4.312696 1.344594 0.447535
H 4.527971 0.744244 -1.209641
H 2.005829 0.154050 -1.332459
H 1.805965 0.785709 0.315000
H 6.206375 -0.960929 -0.379751
H 5.981963 -0.377159 1.282654
H 0.968318 -1.471652 1.086766
H 1.166012 -2.111988 -0.560930
H 7.047059 1.332925 -1.068324
H 6.824805 1.911768 0.595662
H -0.694298 0.248629 0.204389
H -0.525305 -0.440584 -1.428859
H 8.719224 -0.382904 -0.251413
H 8.492382 0.185348 1.414429
H -1.386816 -2.667853 -0.585286
H -1.562508 -1.958093 1.066121
H 9.370970 2.483739 0.757920
H 9.595701 1.915870 -0.919975
H 10.572607 1.210130 0.399803
H -4.078401 -2.898134 -0.697481
H -3.909441 -2.357217 1.023309
H -5.394517 -0.724340 -1.155131
H -6.190543 -1.807881 0.029517
H -3.144089 0.246017 -0.575097


