%chk=000097326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097326

0 1
 S   -2.677500      -2.155400      -1.227300    
 S    2.687100      -2.154500       1.232600    
 O   -1.359100      -2.407700     -0.2858000    
 O    1.379200      -2.397000      0.2849000    
 O   -3.654900      -3.195300     -0.9428000    
 O   -2.204300      -1.930900      -2.586100    
 O    3.677700      -3.173000      0.9436000    
 O    2.219800      -1.914400       2.584900    
 O   -4.620700       4.039500      0.2341000    
 O    4.594900       4.049200     -0.2378000    
 O   -5.856000       2.925500       1.666700    
 O    5.836500       2.940200      -1.668700    
 N   -5.000800       2.960000      0.7490000    
 N    4.981100       2.971200     -0.7511000    
 C  -0.5608000      -3.562400     -0.4958000    
 C   0.5857000      -3.558300      0.4969000    
 C   -3.359000     -0.6557000     -0.6477000    
 C    3.367200     -0.6355000      0.6446000    
 C   -2.951000      0.5567000      -1.204200    
 C    2.945100      0.5590000       1.205600    
 C   -4.310700     -0.6698000      0.3719000    
 C    4.311700     -0.6620000     -0.3686000    
 C   -4.446600       1.740500      0.2785000    
 C    4.433900       1.749200     -0.2788000    
 C   -3.494900       1.754800     -0.7410000    
 C    3.482100       1.759500      0.7407000    
 C   -4.854600      0.5282000      0.8350000    
 C    4.848800      0.5385000     -0.8335000    
 H  -0.1713000      -3.536400      -1.519100    
 H   -1.172600      -4.460600     -0.3643000    
 H   0.1960000      -3.532700       1.520200    
 H    1.202700      -4.453000      0.3664000    
 H   -2.205700      0.5922000      -1.993700    
 H    2.199500      0.5889000       1.994100    
 H   -4.637600      -1.600900      0.8261000    
 H    4.641700      -1.592500     -0.8203000    
 H   -3.152300       2.680300      -1.196800    
 H    3.134000       2.683700       1.195100    
 H   -5.592500      0.4791000       1.631600    
 H    5.586800      0.4925000      -1.630200    


%chk=000097326-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097326

0 1
S -2.838907 -2.121965 -1.495248
S 2.847969 -2.110491 1.496433
O -1.431022 -2.226814 -0.273149
O 1.439663 -2.220809 0.275757
O -3.799515 -3.408663 -1.288963
O -2.249362 -1.752337 -2.955987
O 3.813273 -3.393645 1.289523
O 2.258300 -1.742822 2.957678
O -5.041390 3.975906 0.567592
O 5.025953 3.995065 -0.569326
O -6.317340 2.637005 1.904078
O 6.306529 2.660675 -1.905891
N -5.424899 2.821682 0.993244
N 5.413725 2.842189 -0.994775
C -0.512307 -3.356323 -0.557391
C 0.525503 -3.353869 0.560701
C -3.622502 -0.601530 -0.716453
C 3.625249 -0.587413 0.716822
C -3.212466 0.656499 -1.186367
C 3.210478 0.669209 1.186357
C -4.592034 -0.801923 0.279096
C 4.595200 -0.784367 -0.279005
C -4.788905 1.613320 0.389676
C 4.782665 1.631572 -0.390538
C -3.816068 1.796440 -0.616874
C 3.809452 1.811270 0.616264
C -5.193710 0.340328 0.846295
C 5.192250 0.359990 -0.846816
H -0.028143 -3.222445 -1.541983
H -1.070723 -4.312957 -0.531553
H 0.040844 -3.221300 1.545219
H 1.087796 -4.308246 0.535488
H -2.461789 0.739495 -1.977970
H 2.459764 0.749571 1.978196
H -4.876744 -1.812580 0.586552
H 4.883684 -1.794048 -0.586160
H -3.548416 2.807510 -0.933195
H 3.537959 2.821401 0.932311
H -5.956167 0.261895 1.625039
H 5.954757 0.284224 -1.625774


