%chk=000067372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067372

0 1
 S    5.766200      0.3095000     -2.4499999E-02
 O    4.201300      0.6338000      0.3349000    
 O   -5.483000      -1.663800      0.4387000    
 O    6.597900       1.171700       1.082800    
 O    6.000900      -1.096000      0.2499000    
 O    6.067600      0.8566000      -1.334300    
 O   -6.764800      0.7659000      0.3773000    
 C    1.760500      0.3217000      0.1730000    
 C   0.9595000     -0.8588000     -0.4124000    
 C  -0.5152000     -0.8094000     -1.3900000E-02
 C   -1.140900      0.5021000     -0.5784000    
 C    3.164300     -5.1199999E-02 -0.3405000    
 C    1.186400       1.621000     -0.4049000    
 C    1.796100      -2.077800     -3.4299999E-02
 C  -0.3259000       1.748100     -0.1383000    
 C    3.248600      -1.574700     -0.1221000    
 C   -1.307400      -2.006200     -0.5433000    
 C    1.757700      0.4050000       1.721000    
 C   -2.637300      0.5715000     -0.2862000    
 C   -2.729700      -1.970000      7.4999998E-03
 C   -3.378000     -0.6084000     -5.4099999E-02
 C   -3.331000       1.793800     -0.3289000    
 C   -4.762400     -0.5318000      0.1798000    
 C   -4.708100       1.854600     -0.1040000    
 C   -5.423400      0.6927000      0.1552000    
 H   0.9951000     -0.7957000      -1.513100    
 H  -0.5998000     -0.8165000       1.080500    
 H   -1.068200      0.4588000      -1.676300    
 H    3.244100      0.1670000      -1.413800    
 H    1.348900       1.651200      -1.490200    
 H    1.708100       2.492800      7.8999996E-03
 H    1.625800      -2.918200     -0.7150000    
 H    1.568700      -2.422300      0.9807000    
 H  -0.5028000       1.950100      0.9250000    
 H  -0.6718000       2.636900     -0.6785000    
 H    3.765700      -1.843500      0.8048000    
 H    3.774200      -2.056200     -0.9540000    
 H  -0.8395000      -2.953100     -0.2516000    
 H   -1.330600      -1.986300      -1.640600    
 H    2.349700       1.262700       2.061400    
 H   0.7545000      0.5305000       2.136300    
 H    2.186700     -0.4864000       2.189100    
 H   -2.712900      -2.289300       1.057600    
 H   -3.328200      -2.699400     -0.5515000    
 H   -2.816400       2.725000     -0.5455000    
 H   -5.207400       2.819300     -0.1390000    
 H   -6.413800      -1.414500      0.5735000    
 H    6.305600       2.106700       1.195100    
 H   -7.045700       1.695300      0.3201000    


%chk=000067372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067372

0 1
S 5.950787 0.417680 -0.184648
O 4.220089 0.590514 0.493647
O -5.560863 -1.595518 0.312229
O 6.456556 1.968066 0.622532
O 6.799238 -0.756763 0.492076
O 5.901011 0.563259 -1.784754
O -6.815061 0.779442 0.333000
C 1.781890 0.248715 0.263938
C 0.965153 -0.930183 -0.368513
C -0.530152 -0.853590 -0.012855
C -1.102830 0.496757 -0.551315
C 3.194104 -0.175038 -0.251192
C 1.239972 1.580807 -0.299728
C 1.781482 -2.201411 -0.010516
C -0.286295 1.721021 -0.044254
C 3.272492 -1.715015 -0.030311
C -1.352543 -2.021469 -0.598475
C 1.759748 0.251889 1.815408
C -2.613885 0.608475 -0.287984
C -2.805645 -1.973109 -0.085242
C -3.396353 -0.570746 -0.096185
C -3.260096 1.870866 -0.274894
C -4.787650 -0.440388 0.112305
C -4.653966 1.992514 -0.075154
C -5.414476 0.828282 0.118791
H 1.033659 -0.799382 -1.474153
H -0.645382 -0.879560 1.091699
H -0.962835 0.459203 -1.657501
H 3.284057 0.082972 -1.326148
H 1.428549 1.616403 -1.393206
H 1.770174 2.443472 0.148239
H 1.604376 -3.019902 -0.729090
H 1.500738 -2.579216 0.990173
H -0.485343 1.872799 1.034342
H -0.629851 2.639793 -0.554997
H 3.778986 -1.925410 0.928309
H 3.859403 -2.204291 -0.827332
H -0.898924 -2.992798 -0.325265
H -1.335151 -1.955077 -1.706053
H 2.422005 1.046737 2.199989
H 0.745153 0.437545 2.204242
H 2.111460 -0.704061 2.239960
H -2.847750 -2.364886 0.952096
H -3.455486 -2.646849 -0.674008
H -2.678723 2.784829 -0.423492
H -5.130190 2.980819 -0.070815
H -6.508950 -1.321690 0.429885
H 5.606335 2.479070 0.770859
H -7.219117 1.679222 0.327262


