%chk=000170411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170411

0 1
 S    5.988600       1.537900      0.2370000    
 S    7.262600      -1.243000      0.4023000    
 O    7.349400       1.620800       1.133700    
 O    8.478200     -0.4518000     -0.3451000    
 O    4.893700       1.985800       1.077600    
 O    6.250000       2.191000      -1.032200    
 O    7.499100      -1.200400       1.833400    
 O    7.108600      -2.524300     -0.2622000    
 C   -4.071300      0.2637000     -0.4544000    
 C   -2.762400     -0.3971000     -1.0600000E-02
 C   -5.312500     -0.3790000      0.1695000    
 C   -1.521100      0.2311000     -0.6491000    
 C   -6.593800      0.3089000     -0.3090000    
 C  -0.2111000     -0.4379000     -0.2171000    
 C   -7.834800     -0.3556000      0.2905000    
 C    1.065100      0.1343000     -0.8427000    
 C   -9.147300      0.3081000     -0.1371000    
 C    2.336200     -0.6051000     -0.4198000    
 C   -10.41910     -0.2617000      0.4996000    
 C    3.578300      1.6899999E-02  -1.062100    
 C   -11.73400      0.3570000      1.9600000E-02
 C    4.829000     -0.6923000     -0.6157000    
 C   -12.96110     -0.2113000      0.7152000    
 C    5.929700     -0.1959000     -2.1000000E-02
 H   -4.042700       1.328300     -0.1909000    
 H   -4.146800      0.2093000      -1.547500    
 H   -2.678400     -0.3324000       1.081100    
 H   -2.795500      -1.464100     -0.2633000    
 H   -5.344100      -1.442800     -9.5100001E-02
 H   -5.246600     -0.3187000       1.262400    
 H   -1.480500       1.296400     -0.3914000    
 H   -1.608200      0.1724000      -1.741000    
 H   -6.650800      0.2670000      -1.403400    
 H   -6.570700       1.368200     -2.6000001E-02
 H  -0.1262000     -0.3735000      0.8751000    
 H  -0.2697000      -1.506600     -0.4599000    
 H   -7.859600      -1.413600      1.8000000E-03
 H   -7.764700     -0.3280000       1.385000    
 H   0.9729000      9.7199999E-02  -1.935300    
 H    1.149300       1.193000     -0.5681000    
 H   -9.095000       1.379200      9.5399998E-02
 H   -9.237100      0.2334000      -1.228300    
 H    2.255600      -1.662200     -0.7026000    
 H    2.427500     -0.5705000      0.6732000    
 H   -10.45100      -1.342200      0.3105000    
 H   -10.34660     -0.1412000       1.587900    
 H    3.592900       1.090300     -0.8650000    
 H    3.507100     -8.8399999E-02  -2.152100    
 H   -11.70410       1.440600      0.1842000    
 H   -11.83280      0.2025000      -1.061300    
 H    4.796300      -1.763300     -0.8122000    
 H   -13.04270      -1.289200      0.5432000    
 H   -12.91280     -3.8400002E-02   1.795000    
 H   -13.86950      0.2650000      0.3336000    
 H    7.614200       2.527800       1.415000    
 H    9.375400     -0.8398000     -0.2166000    


%chk=000170411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170411

0 1
S 6.206808 1.581228 0.576558
S 7.371586 -1.451662 0.424604
O 8.079750 1.524276 0.274600
O 8.661308 -0.881366 -0.708169
O 5.996641 1.799960 2.159398
O 5.549907 2.612851 -0.474685
O 7.818927 -1.265700 1.959175
O 6.856300 -2.862386 -0.157252
C -4.099320 0.236220 -0.500797
C -2.781561 -0.377656 0.023235
C -5.358012 -0.334208 0.190971
C -1.523842 0.194726 -0.668670
C -6.676568 0.269635 -0.342674
C -0.208191 -0.435570 -0.158314
C -7.936013 -0.301494 0.347205
C 1.047133 0.144102 -0.848450
C -9.254802 0.296412 -0.192930
C 2.354796 -0.514111 -0.353960
C -10.515147 -0.275856 0.494430
C 3.605869 0.101187 -1.049228
C -11.833749 0.319980 -0.049743
C 4.856752 -0.630500 -0.641242
C -13.087897 -0.257243 0.641821
C 5.955717 -0.195734 0.008042
H -4.072429 1.337283 -0.361301
H -4.173395 0.063735 -1.595120
H -2.708034 -0.207513 1.117749
H -2.809195 -1.478370 -0.118861
H -5.380629 -1.436343 0.058734
H -5.289069 -0.154395 1.284368
H -1.489428 1.293414 -0.514564
H -1.605019 0.036418 -1.764500
H -6.744923 0.089621 -1.436194
H -6.655089 1.371818 -0.210681
H -0.129675 -0.282277 0.937938
H -0.242864 -1.533326 -0.318487
H -7.954944 -1.404261 0.219555
H -7.871108 -0.117103 1.440136
H 0.959550 0.007657 -1.946404
H 1.092474 1.237843 -0.670064
H -9.236920 1.399152 -0.064493
H -9.318812 0.112723 -1.286144
H 2.317025 -1.604836 -0.548761
H 2.446393 -0.388278 0.742384
H -10.533614 -1.378848 0.368249
H -10.454629 -0.090036 1.587448
H 3.670101 1.183621 -0.850224
H 3.494264 -0.024703 -2.145934
H -11.814475 1.421895 0.076744
H -11.893176 0.134151 -1.141740
H 4.881345 -1.709680 -0.883620
H -13.146354 -1.353712 0.504992
H -13.067672 -0.056919 1.729917
H -14.016202 0.184079 0.234385
H 8.520495 2.094405 0.963861
H 8.754717 0.111492 -0.479594


