%chk=000171112.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171112

0 1
 S   -6.280500       1.634900      0.1979000    
 O   0.7019000      0.8991000      -2.098200    
 O  -0.4357000      -2.058200      -1.947800    
 O   -3.828700      -1.892700     -0.2987000    
 O    6.361800       2.156300       1.727400    
 O   -5.310300      0.3222000      4.5299999E-02
 O   -7.682700       1.152300     -0.4821000    
 O   -6.529100       1.841000       1.612600    
 O   -5.739200       2.710600     -0.6115000    
 C   0.3759000      -1.438300      0.6959000    
 C    1.689300      -1.261500     -7.7699997E-02
 C  -0.8049000     -0.7162000      3.3900000E-02
 C    2.026600      0.2747000     -0.1328000    
 C    3.431200      0.5365000     -0.8003000    
 C   0.8363000       1.105000     -0.6972000    
 C  -0.5108000      0.7891000     -3.8000001E-03
 C   -1.953900      -1.143800      0.9656000    
 C  -0.1593000      -2.843900      0.9489000    
 C    2.821200      -2.079500      0.5774000    
 C   -1.635800      -2.614200       1.314100    
 C    4.431600     -0.2929000      1.5000000E-02
 C    4.199600      -1.782200     -1.1300000E-02
 C    3.845300       2.035100     -0.7863000    
 C   -1.097100      -1.197600      -1.376600    
 C    3.494000      0.1048000      -2.287600    
 C   -3.321900     -0.9948000      0.3721000    
 C    4.291200       2.530300      0.5775000    
 C    5.377300      0.2254000      0.8159000    
 C    5.439200       1.684500       1.066800    
 C   -4.032500      0.3137000      0.6457000    
 H   0.5347000     -0.9934000       1.692900    
 H    1.595300      -1.637900      -1.096900    
 H    2.117800      0.5957000      0.9176000    
 H    1.036100       2.171500     -0.5494000    
 H  -0.4782000       1.185400       1.018900    
 H   -1.313300       1.316900     -0.5320000    
 H   -1.922400     -0.5684000       1.900800    
 H   0.3745000      -3.343500       1.764000    
 H  -7.6399997E-02  -3.485000      6.5399997E-02
 H    2.615800      -3.151500      0.4711000    
 H    2.844000      -1.871800       1.655900    
 H   -2.262700      -3.347200      0.7961000    
 H   -1.787900      -2.777000       2.388000    
 H    4.276000      -2.168000      -1.033300    
 H    4.958200      -2.318000      0.5723000    
 H    3.043700       2.674200      -1.169900    
 H    4.688400       2.180600      -1.478700    
 H   -1.935800     -0.7048000      -1.898300    
 H    2.989600      0.8262000      -2.939100    
 H    4.534200      5.0400000E-02  -2.633700    
 H    3.045500     -0.8737000      -2.476400    
 H    3.482000       2.496800       1.313300    
 H    4.634600       3.567100      0.4917000    
 H    6.056300     -0.3995000       1.385700    
 H  -1.1700000E-02   1.478500      -2.415400    
 H   -3.440900       1.137200      0.2401000    
 H   -4.139900      0.4287000       1.728700    
 H   -7.595500      0.7098000      -1.358800    


%chk=000171112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171112

0 1
S -6.375042 1.359565 0.312399
O 0.764706 0.718021 -2.300675
O -0.948605 -2.184296 -1.875701
O -3.763157 -0.280614 -0.716538
O 6.310735 2.261800 1.764016
O -5.812984 -0.232184 1.210323
O -6.106377 0.800885 -1.348629
O -7.940125 1.515773 0.548371
O -5.315634 2.503957 0.731570
C 0.291932 -1.284809 0.650393
C 1.636353 -1.229441 -0.105246
C -0.837201 -0.480904 -0.064289
C 2.050210 0.275255 -0.257145
C 3.487805 0.429451 -0.917430
C 0.929614 1.140335 -0.889672
C -0.430903 1.003930 -0.152109
C -2.023607 -0.806589 0.908064
C -0.348759 -2.658406 0.989046
C 2.714058 -2.035710 0.664844
C -1.882048 -2.367016 1.146869
C 4.422971 -0.347687 0.024626
C 4.156579 -1.834169 0.109658
C 3.955604 1.911485 -1.028017
C -1.167580 -1.013942 -1.483918
C 3.574263 -0.177714 -2.352756
C -3.420364 -0.418629 0.497213
C 4.355435 2.558382 0.313345
C 5.334419 0.265100 0.847488
C 5.431983 1.729650 1.018867
C -4.421896 -0.175084 1.633404
H 0.462027 -0.757496 1.618783
H 1.498224 -1.671912 -1.108759
H 2.151874 0.674258 0.778944
H 1.234666 2.207155 -0.862355
H -0.336543 1.428642 0.867659
H -1.194542 1.608449 -0.683592
H -1.804218 -0.305871 1.876713
H 0.075999 -3.087102 1.913504
H -0.189714 -3.370775 0.164446
H 2.458900 -3.111946 0.641584
H 2.706598 -1.720814 1.729757
H -2.458113 -2.917830 0.383758
H -2.270154 -2.650861 2.140551
H 4.234405 -2.313864 -0.884133
H 4.885853 -2.328057 0.776554
H 3.184576 2.516203 -1.539733
H 4.841531 1.926941 -1.693480
H -1.674781 -0.276890 -2.146705
H 3.048889 0.475022 -3.066907
H 4.634742 -0.262178 -2.656421
H 3.113926 -1.174951 -2.434251
H 3.484083 2.631982 0.997370
H 4.735761 3.585473 0.173296
H 6.000575 -0.333102 1.482991
H 0.124487 1.328402 -2.748664
H -4.175167 0.803472 2.103281
H -4.330142 -0.957839 2.410145
H -5.204125 0.288094 -1.292006


