%chk=000082541.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082541

0 1
 S   0.1900000       6.176500      -1.300800    
 S    7.472800      -1.268800      0.7838000    
 S   -7.577000      -1.069200      0.7770000    
 O   4.1000001E-02   1.276600      0.1133000    
 O    2.407700      -1.253600      0.1757000    
 O   -2.508900      -1.172000      0.1952000    
 O   0.1385000       2.802400       1.841300    
 O    3.634300      -1.562200      -1.754000    
 O   -3.733000      -1.434800      -1.742800    
 C  -3.6499999E-02  -1.170400      0.3439000    
 C   2.8999999E-02  0.2066000       1.048900    
 C    1.200000      -1.332500     -0.5709000    
 C   -1.300400      -1.285400     -0.5435000    
 C  -4.8000000E-02  -2.287100       1.408300    
 C   9.8099999E-02   2.537500      0.6476000    
 C    3.565500      -1.385700     -0.5453000    
 C   -3.666500      -1.265300     -0.5330000    
 C   0.1039000       3.553900     -0.4727000    
 C    4.749500      -1.278700      0.3901000    
 C   -4.852700      -1.125700      0.3954000    
 C   0.1940000       4.978300      6.2399998E-02
 C    6.070600      -1.391400     -0.3621000    
 C   -6.172100      -1.249000     -0.3579000    
 H   0.9281000      0.2684000       1.675300    
 H  -0.8422000      0.3233000       1.706400    
 H    1.206100     -0.5559000      -1.346200    
 H    1.160900      -2.308500      -1.072200    
 H   -1.296400      -2.257900      -1.053600    
 H   -1.284400     -0.5057000      -1.315900    
 H  -0.9214000      -2.202300       2.064100    
 H  -7.6300003E-02  -3.277100      0.9397000    
 H   0.8428000      -2.243800       2.044500    
 H   0.9642000       3.336400      -1.116500    
 H  -0.8206000       3.421400      -1.047000    
 H    4.686000     -0.3101000      0.9000000    
 H    4.663300      -2.083400       1.129700    
 H   -4.782100     -0.1450000      0.8803000    
 H   -4.776300      -1.911900       1.155700    
 H  -0.6520000       5.198600      0.7220000    
 H    1.111000       5.115500      0.6453000    
 H    6.135200      -2.348700     -0.8901000    
 H    6.159600     -0.5960000      -1.109500    
 H   -6.249500     -0.4787000      -1.132400    
 H   -6.245600      -2.223100     -0.8532000    
 H   0.2751000       7.275600     -0.5372000    
 H    8.436000      -1.397900     -0.1404000    
 H   -8.538200      -1.219000     -0.1460000    


%chk=000082541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082541

0 1
S 0.132440 6.207902 -1.418566
S 7.488525 -1.329344 1.125871
S -7.534514 -1.060283 1.142351
O 0.021781 1.247630 0.028105
O 2.420735 -1.244592 0.131800
O -2.469918 -1.160041 0.136664
O 0.073872 2.748385 1.809048
O 3.743530 -1.534321 -1.764215
O -3.806196 -1.379127 -1.759408
C -0.024525 -1.198699 0.196286
C 0.000331 0.115812 1.002716
C 1.208105 -1.291652 -0.731259
C -1.261370 -1.246461 -0.729102
C -0.044883 -2.380099 1.199394
C 0.059132 2.531806 0.576675
C 3.647062 -1.374999 -0.526896
C -3.701453 -1.235795 -0.520820
C 0.077308 3.579983 -0.525138
C 4.792841 -1.296489 0.468999
C -4.841464 -1.122328 0.478343
C 0.120325 5.002752 0.049904
C 6.155647 -1.436822 -0.223490
C -6.210151 -1.204637 -0.211928
H 0.901950 0.176935 1.634819
H -0.898819 0.211256 1.634225
H 1.250932 -0.446745 -1.440761
H 1.216726 -2.239001 -1.301514
H -1.303888 -2.191614 -1.301554
H -1.276349 -0.399038 -1.436751
H -0.939959 -2.331397 1.842096
H -0.065311 -3.344882 0.659486
H 0.855132 -2.365997 1.836875
H 0.951144 3.390875 -1.177470
H -0.817481 3.438439 -1.160971
H 4.722897 -0.334527 1.011678
H 4.652921 -2.088556 1.229383
H -4.733923 -0.168391 1.029017
H -4.730095 -1.925665 1.231552
H -0.764249 5.200196 0.674285
H 1.028620 5.155454 0.652389
H 6.237237 -2.406251 -0.738110
H 6.311173 -0.626851 -0.952197
H -6.336756 -0.382268 -0.932296
H -6.329324 -2.165245 -0.735664
H 0.156075 7.367903 -0.662239
H 8.574725 -1.455348 0.276103
H -8.627441 -1.133665 0.294984


