%chk=000147411.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147411

0 1
 S    8.047200      0.2642000      8.3099999E-02
 S   -7.648800      0.8522000     -4.6599999E-02
 O    6.496800      0.6413000     -0.2657000    
 O   -6.235100      0.1048000      0.2859000    
 O    8.423100     -0.9373000     -0.6338000    
 O    8.269500      0.4103000       1.507300    
 O   -8.740600      9.5899999E-02  0.5318000    
 O   -7.655900       1.274100      -1.432700    
 C   0.4507000     -0.9178000      0.2260000    
 C  -0.9008000     -0.3574000     -0.2230000    
 C    1.600600     -1.7000000E-03 -0.1963000    
 C   -2.051500      -1.258800      0.2287000    
 C    2.954300     -0.5780000      0.2233000    
 C   -3.422600     -0.7924000     -0.2700000    
 C    4.106600      0.3206000     -0.2354000    
 C   -4.607500      -1.688000      0.1098000    
 C    5.464800     -0.2161000      0.2000000    
 C   -5.968600      -1.151600     -0.3204000    
 C    8.788100       1.652400     -0.7376000    
 C   -7.370100       2.283100      0.9655000    
 H   0.4573000      -1.034600       1.316500    
 H   0.5958000      -1.914900     -0.2072000    
 H   -1.042600      0.6490000      0.1889000    
 H  -0.9136000     -0.2649000      -1.315800    
 H    1.466700      0.9896000      0.2535000    
 H    1.581200      0.1317000      -1.284800    
 H   -2.066200      -1.310400       1.324200    
 H   -1.875200      -2.279300     -0.1336000    
 H    2.984700     -0.6871000       1.314100    
 H    3.079800      -1.579200     -0.2065000    
 H   -3.600300      0.2196000      0.1149000    
 H   -3.391700     -0.7046000      -1.363400    
 H    3.976900       1.334700      0.1628000    
 H    4.092300      0.4244000      -1.327600    
 H   -4.608500      -1.804500       1.200700    
 H   -4.460300      -2.684200     -0.3229000    
 H    5.621400      -1.220100     -0.2101000    
 H    5.513100     -0.2755000       1.293100    
 H   -5.997200      -1.039800      -1.410000    
 H   -6.748600      -1.862600     -2.6400000E-02
 H    8.420400       2.572300     -0.2789000    
 H    9.870900       1.581100     -0.6151000    
 H    8.529300       1.616300      -1.797400    
 H   -6.477000       2.799900      0.6093000    
 H   -8.240300       2.936900      0.8764000    
 H   -7.247100       1.964600       2.002300    


%chk=000147411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147411

0 1
S 8.290331 0.304580 0.176799
S -7.863044 0.933836 -0.046463
O 6.538182 0.718434 -0.322859
O -6.247335 0.116139 0.397700
O 8.741182 -1.096384 -0.500079
O 8.471060 0.516314 1.772515
O -9.098415 0.024055 0.472048
O -7.824208 1.427371 -1.588373
C 0.450889 -0.958474 0.184137
C -0.922853 -0.435777 -0.293209
C 1.630910 -0.076843 -0.282875
C -2.105879 -1.315902 0.168948
C 3.004603 -0.595019 0.200012
C -3.477249 -0.783625 -0.302452
C 4.173965 0.298708 -0.280582
C -4.651286 -1.673847 0.159872
C 5.527960 -0.227849 0.214827
C -6.029589 -1.179203 -0.302007
C 9.028397 1.769104 -0.774622
C -7.576714 2.396159 1.125506
H 0.454465 -1.020071 1.292518
H 0.597982 -1.994678 -0.185755
H -1.070550 0.599572 0.078854
H -0.925432 -0.370950 -1.401377
H 1.480934 0.960004 0.083449
H 1.629573 -0.019685 -1.391235
H -2.100043 -1.384356 1.277063
H -1.960987 -2.350637 -0.207216
H 3.007022 -0.647675 1.308266
H 3.154322 -1.631923 -0.165094
H -3.630153 0.244631 0.077808
H -3.484291 -0.713985 -1.410255
H 4.033176 1.333220 0.086016
H 4.185544 0.341026 -1.386335
H -4.654093 -1.758508 1.263941
H -4.523304 -2.701571 -0.239134
H 5.726866 -1.245900 -0.172736
H 5.572507 -0.233057 1.321420
H -6.048833 -1.015084 -1.397336
H -6.827615 -1.889108 -0.012362
H 8.573447 2.669659 -0.343265
H 10.113432 1.719677 -0.610292
H 8.749925 1.617992 -1.825164
H -6.653239 2.880825 0.784403
H -8.459077 3.042244 1.022023
H -7.481083 1.964763 2.129850


