%chk=000083897.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083897

0 1
 S   -5.958600      0.4869000      0.3677000    
 O   -2.123000      -1.058900      -1.150600    
 O   -1.688700       2.037500      0.2459000    
 O   -4.600500     -9.0800002E-02 -0.3258000    
 O    2.169400      -3.254300     -0.6363000    
 O    3.084400       2.458900       1.029200    
 O   -7.005000     -0.7600000      0.2617000    
 O   -1.357300      -2.194500       1.115000    
 O   2.5500000E-02   2.715600      -1.655100    
 O   -5.669100      0.6961000       1.774100    
 O   -6.478200       1.575300     -0.4393000    
 O    3.954000      -4.530300      0.6499000    
 O    5.488100       2.928100      0.3442000    
 O    2.759700      -4.635100       2.597500    
 O    4.986900       3.391000      -1.838600    
 C   -3.551000      0.8129000     -0.6795000    
 C   -2.672000      0.1289000      -1.718400    
 C   -2.760900       1.161100      0.5769000    
 C  -0.9120000      -1.467600      -1.621200    
 C  -0.5807000       1.985400       1.049100    
 C   4.3000001E-03  -2.168400     -0.8337000    
 C   0.7044000       2.263600      0.5780000    
 C    1.232300      -2.564700      -1.364900    
 C    1.800700       2.196200       1.438900    
 C  -0.5907000      -1.165400      -2.945100    
 C  -0.7616000       1.638700       2.388700    
 C  -0.3072000      -2.500800      0.5671000    
 C   0.9258000       2.631700     -0.8310000    
 C    1.550300      -2.261100      -2.688800    
 C    1.616400       1.849600       2.777400    
 C   0.6372000      -1.561000      -3.477800    
 C   0.3340000       1.570800       3.250800    
 C   0.7326000      -3.242900       1.308300    
 C    2.323800       2.904100      -1.222200    
 C    1.868200      -3.559600      0.6742000    
 C    3.280800       2.801400     -0.2919000    
 C    2.880900      -4.294700       1.434200    
 C    4.657000       3.076700     -0.7087000    
 H   -3.966200       1.720400      -1.133800    
 H   -3.288100     -0.1594000      -2.578600    
 H   -1.899100      0.8353000      -2.042400    
 H   -2.422200      0.2322000       1.051600    
 H   -3.410000       1.681400       1.288500    
 H   -1.276100     -0.6554000      -3.615500    
 H   -1.738800       1.446700       2.821500    
 H    2.503300      -2.566600      -3.112000    
 H    2.463300       1.795900       3.455900    
 H   0.8799000      -1.330600      -4.511200    
 H   0.1875000       1.308200       4.294500    
 H   0.5241000      -3.496800       2.341100    
 H    2.509000       3.175900      -2.254800    
 H   -7.901000     -0.5916000      0.6371000    
 H    4.657000      -5.022600       1.125200    
 H    6.422700       3.104600      0.1040000    


%chk=000083897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083897

0 1
S -6.067814 0.161001 -0.606268
O -1.959316 -0.741837 -0.621954
O -1.477575 2.031878 0.762401
O -4.549936 0.144048 0.444080
O 1.568057 -4.089831 -0.769082
O 3.211189 3.322180 0.911032
O -5.617731 -1.125702 -1.838874
O -0.901817 -1.752797 1.675472
O -0.093593 2.569253 -1.542218
O -7.244740 -0.366699 0.338487
O -6.145232 1.505650 -1.471577
O 3.112559 -5.989809 0.168730
O 5.416639 4.434037 0.029956
O 2.407909 -5.664355 2.363590
O 4.583033 4.692304 -2.128489
C -3.450658 1.024880 -0.037652
C -2.653234 0.425239 -1.198267
C -2.588705 1.185265 1.235276
C -0.993392 -1.404550 -1.350205
C -0.281298 2.060915 1.457836
C -0.184776 -2.337183 -0.608964
C 0.847032 2.582715 0.735002
C 0.742981 -3.112877 -1.368676
C 2.047272 2.766825 1.486504
C -0.806703 -1.225229 -2.739396
C -0.162324 1.662141 2.806498
C -0.227190 -2.481686 0.873440
C 0.844644 2.864248 -0.728457
C 0.923193 -2.968083 -2.758204
C 2.177751 2.404934 2.841589
C 0.149204 -2.005383 -3.429358
C 1.066047 1.833004 3.484946
C 0.634910 -3.555150 1.402829
C 2.078991 3.499122 -1.225155
C 1.469562 -4.289870 0.601259
C 3.175554 3.695191 -0.425751
C 2.354115 -5.361144 1.149528
C 4.431767 4.315440 -0.943741
H -3.862740 2.001856 -0.355189
H -3.321549 0.113173 -2.023360
H -1.908778 1.171526 -1.538840
H -2.214876 0.199669 1.567515
H -3.159434 1.700628 2.028334
H -1.399965 -0.487645 -3.284914
H -1.016480 1.226508 3.330238
H 1.656556 -3.594345 -3.271123
H 3.130297 2.569400 3.350328
H 0.281657 -1.860541 -4.506220
H 1.147009 1.524477 4.531942
H 0.618489 -3.752239 2.477308
H 2.125760 3.795816 -2.275575
H -5.567705 -2.003001 -1.356380
H 3.677431 -6.690295 0.595228
H 6.223454 4.854928 -0.374459


