%chk=000108619.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108619

0 1
 S    8.131200      0.2965000     -2.7000001E-03
 O    9.184200     -0.9334000     -0.2010000    
 O    8.172500      0.7268000       1.383300    
 O    8.304500       1.238100      -1.094400    
 C   -1.001100     -0.5053000     -4.1999999E-03
 C   0.3033000      0.2900000      0.1332000    
 C   -2.288300      0.3032000      0.2019000    
 C    1.556900     -0.5661000     -6.7599997E-02
 C   -3.560500     -0.5234000     -3.4000000E-03
 C    2.861600      0.2217000      8.6499996E-02
 C   -4.848500      0.2829000      0.1947000    
 C    4.105800     -0.6271000     -0.1928000    
 C   -6.153000     -0.5172000      9.8999999E-02
 C    5.389000      0.1845000      4.9000001E-03
 C   -7.410400      0.3416000      0.2597000    
 C    6.649800     -0.6224000     -0.2736000    
 C   -8.681600     -0.4891000      6.9300003E-02
 C   -9.909300      0.3646000      0.1925000    
 C   -10.80590      0.5340000     -0.7853000    
 H   -1.028100     -0.9617000      -1.001900    
 H  -0.9880000      -1.333500      0.7157000    
 H   0.3367000      0.7515000       1.127600    
 H   0.3024000       1.108600     -0.5968000    
 H   -2.293600       1.149900     -0.4953000    
 H   -2.287100      0.7255000       1.214100    
 H    1.550000      -1.393300      0.6528000    
 H    1.524300      -1.016500      -1.067300    
 H   -3.559000     -0.9518000      -1.013000    
 H   -3.555900      -1.366600      0.6982000    
 H    2.916300      0.6285000       1.103700    
 H    2.848800       1.078200     -0.5988000    
 H   -4.872400       1.090100     -0.5484000    
 H   -4.812600      0.7690000       1.178000    
 H    4.115300      -1.495700      0.4765000    
 H    4.066700      -1.009300      -1.219800    
 H   -6.149100      -1.303100      0.8641000    
 H   -6.182300      -1.023100     -0.8741000    
 H    5.418600      0.5669000       1.032800    
 H    5.370300       1.064100     -0.6507000    
 H   -7.409700      0.8068000       1.253300    
 H   -7.388600       1.156200     -0.4754000    
 H    6.664100     -0.9734000      -1.310500    
 H    6.686300      -1.492800      0.3904000    
 H   -8.726400      -1.277900      0.8296000    
 H   -8.654700     -0.9883000     -0.9071000    
 H   -10.07680      0.8629000       1.143900    
 H    9.274100      -1.270400      -1.123400    
 H   -11.67680       1.161300     -0.6292000    
 H   -10.68930      5.5599999E-02  -1.751300    


%chk=000108619-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108619

0 1
S 8.254306 0.342934 -0.104637
O 9.367433 -1.143999 -0.306316
O 8.462659 0.986314 1.365640
O 8.370971 1.295530 -1.407754
C -1.032081 -0.568378 -0.080956
C 0.274852 0.241293 0.074284
C -2.306457 0.274582 0.149338
C 1.547848 -0.618628 -0.094674
C -3.613040 -0.523408 -0.059465
C 2.853046 0.203637 -0.005131
C -4.888475 0.307715 0.205839
C 4.123200 -0.670697 -0.121313
C -6.193991 -0.483969 -0.031602
C 5.420011 0.179167 -0.064456
C -7.468434 0.344050 0.245973
C 6.649312 -0.720887 -0.170972
C -8.775077 -0.455706 -0.005153
C -10.021998 0.338976 0.321155
C -11.031145 0.613917 -0.543613
H -1.066598 -1.015106 -1.096778
H -1.023975 -1.419672 0.631963
H 0.290470 0.725997 1.072814
H 0.285290 1.064306 -0.670661
H -2.298161 1.148000 -0.536197
H -2.289841 0.688913 1.179205
H 1.557553 -1.411460 0.682268
H 1.509834 -1.141438 -1.073195
H -3.640123 -0.914551 -1.098212
H -3.610680 -1.412123 0.606318
H 2.875378 0.756637 0.956401
H 2.859686 0.969639 -0.807556
H -4.882413 1.207048 -0.445115
H -4.871007 0.681608 1.251079
H 4.130016 -1.418017 0.698054
H 4.091959 -1.240319 -1.072461
H -6.197349 -1.388755 0.612357
H -6.215091 -0.849401 -1.079705
H 5.447366 0.747526 0.884919
H 5.416137 0.913182 -0.892718
H -7.454056 0.700776 1.296988
H -7.471887 1.250920 -0.391454
H 6.748198 -1.245301 -1.134405
H 6.784511 -1.412155 0.675736
H -8.748065 -1.372632 0.622324
H -8.809238 -0.792478 -1.059779
H -10.086601 0.721155 1.353272
H 10.315011 -0.825589 -0.291160
H -11.905985 1.200954 -0.241400
H -11.009579 0.257492 -1.581391


