%chk=000153950.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153950

0 1
 S    6.414500      0.7148000      -2.266700    
 O   -2.580600      -1.075400      0.2895000    
 O   -1.239400      0.8586000     -1.4300000E-02
 O   -5.433600       1.919700     -1.2200000E-02
 O   -5.149300      1.5500000E-02  -2.119100    
 O   -4.208300      0.5091000       2.050100    
 O    5.610600       2.006500     -0.1398000    
 N    4.963900     -0.2253000     -0.3466000    
 C   -4.221000       1.214600     -0.2677000    
 C   -4.551500     -0.1653000     -0.8377000    
 C   -3.407300       1.093700       1.021900    
 C   -3.272600      -1.005000     -0.9614000    
 C   -2.188100      0.1970000      0.8155000    
 C   -3.569600      -2.440000      -1.387800    
 C   8.0100000E-02  0.5589000      0.1982000    
 C    1.864200      -1.057600      0.2749000    
 C   0.5211000     -0.7522000      5.4900002E-02
 C    2.758300     -5.0000001E-02  0.6369000    
 C   0.9661000       1.568300      0.5590000    
 C    2.309400       1.263000      0.7789000    
 C    2.321600      -2.470300      0.1148000    
 C    4.201300     -0.3524000      0.8755000    
 C    2.219900      -3.262300       1.414900    
 C    5.590400      0.9361000     -0.7318000    
 H   -3.661900       1.801100      -1.007300    
 H   -5.291800     -0.6602000     -0.1972000    
 H   -3.114500       2.091400       1.366400    
 H   -2.605300     -0.5706000      -1.717000    
 H   -1.744900     -3.1999999E-03   1.800700    
 H   -4.237500      -2.930200     -0.6708000    
 H   -4.025500      -2.484400      -2.380800    
 H   -2.645600      -3.028700      -1.408100    
 H   -5.930800       1.956000     -0.8472000    
 H   -5.503800     -0.8430000      -2.405000    
 H   -4.349300     -0.4279000       1.833700    
 H  -0.1647000      -1.539600     -0.2428000    
 H   0.6200000       2.591800      0.6720000    
 H    2.992200       2.059400       1.062200    
 H    1.700600      -2.967300     -0.6429000    
 H    3.336800      -2.532200     -0.2898000    
 H    4.609400      0.3435000       1.619500    
 H    4.376400      -1.350700       1.283900    
 H    2.830400      -2.822200       2.209500    
 H    2.559200      -4.290900       1.256400    
 H    1.185200      -3.300200       1.772800    
 H    5.034000      -1.033000     -0.9582000    
 H    6.901600       1.960000      -2.368700    


%chk=000153950-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153950

0 1
S 6.600188 1.568310 -2.443321
O -2.766324 -1.268324 0.112465
O -1.424600 0.752201 0.334593
O -5.479149 1.972048 0.233940
O -5.119638 0.583050 -2.212293
O -4.545621 -0.092028 2.115985
O 6.605585 1.110183 0.299132
N 4.870661 0.127446 -0.930001
C -4.286767 1.186078 -0.053964
C -4.612455 -0.013678 -0.961926
C -3.659412 0.715362 1.274607
C -3.341354 -0.864068 -1.211173
C -2.402729 -0.125917 0.961522
C -3.595980 -2.163199 -1.972337
C -0.065845 0.347783 0.313182
C 1.756897 -1.285256 0.558069
C 0.373646 -0.966352 0.582881
C 2.699807 -0.265625 0.234528
C 0.861188 1.361523 -0.013527
C 2.229780 1.043060 -0.051860
C 2.176369 -2.707171 0.918885
C 4.203676 -0.528929 0.214219
C 2.716306 -2.824052 2.370103
C 6.010264 0.879194 -0.779651
H -3.528531 1.805288 -0.581321
H -5.400303 -0.640731 -0.489527
H -3.403694 1.588919 1.893528
H -2.596277 -0.237706 -1.739973
H -2.001000 -0.587983 1.880495
H -4.339869 -2.790856 -1.448582
H -3.961459 -1.948493 -2.993009
H -2.660898 -2.740894 -2.063420
H -5.890220 2.191738 -0.642767
H -5.631166 -0.091064 -2.724133
H -4.686462 -0.968350 1.670150
H -0.351899 -1.760205 0.785716
H 0.500185 2.373598 -0.218389
H 2.955347 1.825937 -0.300154
H 1.306037 -3.380001 0.807902
H 2.946647 -3.081348 0.216095
H 4.692560 -0.127062 1.121496
H 4.416050 -1.613438 0.189741
H 3.611979 -2.194931 2.520778
H 2.991305 -3.868768 2.603431
H 1.953020 -2.497001 3.098614
H 4.465239 0.002447 -1.859839
H 7.679213 2.218162 -1.879688


