%chk=000094680.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094680

0 1
 S    3.898100      0.4301000      -1.036800    
 O  -0.9101000       2.696300     -0.4427000    
 O   -2.016800      -1.823000      0.5636000    
 O   -3.089200       1.767200      -1.290700    
 C    1.172800     -8.6900003E-02  0.6072000    
 C    2.526100     -0.2654000       1.292800    
 C   0.7127000       1.368600      0.7007000    
 C   0.1294000      -1.015400       1.230500    
 C    3.615200      0.6684000      0.7538000    
 C  -0.6107000       1.589200      1.1000000E-03
 C   -1.217100     -0.8887000      0.5525000    
 C   -1.546200      0.4278000     -7.0200004E-02
 C    4.932100      0.4371000       1.491400    
 C   -2.712600      0.5700000     -0.7141000    
 C   -3.723700     -0.5340000     -0.8439000    
 C    4.452100      -1.287300     -0.9756000    
 C   -4.693600     -0.5622000      0.3393000    
 C    4.776500      -1.792400      -2.368600    
 C   -5.695100      -1.699500      0.2098000    
 H    1.252100     -0.3620000     -0.4526000    
 H    2.833000      -1.316400       1.256300    
 H    2.404400     -5.0200000E-02   2.364400    
 H    1.418400       2.038200      0.2008000    
 H   0.6054000       1.690000       1.742900    
 H  -7.4999998E-03 -0.8033000       2.297100    
 H   0.4597000      -2.055700       1.126300    
 H    3.348600       1.717900      0.9058000    
 H    4.840400      0.8114000       2.518600    
 H    5.766400      0.9792000       1.032600    
 H    5.198800     -0.6199000       1.583300    
 H   -4.322200     -0.3335000      -1.745900    
 H   -3.298600      -1.510800      -1.090100    
 H    5.358800      -1.385700     -0.3752000    
 H    3.674900      -1.933400     -0.5621000    
 H   -5.240800      0.3873000      0.3930000    
 H   -4.158600     -0.6689000       1.289500    
 H   -4.000800       1.684300      -1.617100    
 H    3.899000      -1.758400      -3.023600    
 H    5.579600      -1.208900      -2.831900    
 H    5.111600      -2.834200      -2.320300    
 H   -5.186500      -2.668700      0.1919000    
 H   -6.283500      -1.602100     -0.7082000    
 H   -6.386500      -1.694300       1.058300    


%chk=000094680-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094680

0 1
S 3.942407 0.347227 -1.107807
O -1.196469 2.865667 0.341338
O -1.915671 -1.842104 0.915548
O -3.012339 1.692268 -1.275582
C 1.236551 0.035531 0.787632
C 2.634604 -0.114397 1.431260
C 0.743610 1.495152 0.782825
C 0.194103 -0.825036 1.533069
C 3.775934 0.691310 0.770407
C -0.738224 1.688570 0.419047
C -1.179215 -0.801681 0.861315
C -1.578421 0.466267 0.190605
C 5.118119 0.498283 1.499210
C -2.712957 0.507668 -0.628121
C -3.671939 -0.627726 -0.899697
C 4.352335 -1.506871 -1.137943
C -4.823831 -0.672799 0.151349
C 4.536636 -1.940496 -2.601044
C -5.833222 -1.793149 -0.170560
H 1.306827 -0.313588 -0.263154
H 2.913964 -1.188006 1.449161
H 2.576338 0.203590 2.495458
H 1.316020 2.118579 0.070723
H 0.892384 1.953551 1.783424
H 0.078847 -0.447434 2.572596
H 0.500465 -1.883634 1.611017
H 3.518703 1.767457 0.765443
H 5.032323 0.824074 2.554478
H 5.917633 1.086150 1.017397
H 5.425598 -0.563601 1.504631
H -4.106174 -0.506848 -1.916990
H -3.141225 -1.591604 -0.849774
H 5.276140 -1.670835 -0.557679
H 3.523214 -2.060145 -0.663877
H -5.341083 0.306345 0.193169
H -4.371605 -0.851908 1.142652
H -3.800523 1.572316 -1.867952
H 3.616052 -1.769330 -3.186983
H 5.358109 -1.380270 -3.081894
H 4.780231 -3.018027 -2.651069
H -5.335901 -2.780209 -0.168306
H -6.300509 -1.647890 -1.163312
H -6.641838 -1.820618 0.581889


