%chk=000077435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077435

0 1
 S  -8.8699996E-02  -1.248900     -0.4258000    
 O   -4.095100       2.616400       1.664000    
 O    4.685200       2.258600     -0.9429000    
 C   -3.150200      -1.382300     -0.9331000    
 C    2.618000      -1.668900       1.039000    
 C   -2.637200     -0.2178000     -6.9899999E-02
 C    2.515400     -0.4845000      0.1310000    
 C   -1.298700     -8.1900001E-02  0.2048000    
 C    1.344000     -0.1966000     -0.5806000    
 C   -4.684700      -1.286100      -1.075900    
 C   -2.785700      -2.725200     -0.2640000    
 C   -2.559900      -1.409300      -2.361200    
 C    4.027200      -1.748700       1.700100    
 C    2.384900      -2.997200      0.2577000    
 C    1.597000      -1.692600       2.222100    
 C   -3.590800      0.6574000      0.3970000    
 C    3.635200      0.3384000      9.6000005E-03
 C  -0.8863000      0.9924000      0.9933000    
 C    1.310500      0.9276000      -1.415400    
 C   -3.178300       1.731500       1.185600    
 C    3.592600       1.455700     -0.8243000    
 C   -1.826100       1.899000       1.483700    
 C    2.430300       1.750300      -1.536800    
 C   0.5497000       1.221200       1.345300    
 C   9.1799997E-02   1.291400      -2.203300    
 H   -5.008100     -0.3805000      -1.603800    
 H   -5.208400      -1.378900     -0.1164000    
 H   -5.058000      -2.122200      -1.683200    
 H   -1.821500      -3.149200     -0.5489000    
 H   -3.509100      -3.496700     -0.5604000    
 H   -2.833900      -2.665000      0.8300000    
 H   -1.538300      -1.772900      -2.457900    
 H   -3.149700      -2.079500      -3.000500    
 H   -2.611200     -0.4141000      -2.818300    
 H    4.244700     -0.8803000       2.333600    
 H    4.085900      -2.621200       2.364500    
 H    4.827000      -1.885600      0.9621000    
 H    1.343400      -3.314600      0.1848000    
 H    2.887200      -3.829600      0.7679000    
 H    2.809800      -2.949400     -0.7520000    
 H   0.5369000      -1.646700       1.992300    
 H    1.835100     -0.9247000       2.968500    
 H    1.713300      -2.641300       2.766700    
 H   -4.655800      0.6091000      0.2172000    
 H    4.575700      0.1851000      0.5240000    
 H   -1.512900       2.742500       2.094500    
 H    2.401500       2.624600      -2.182800    
 H    1.094100      0.4087000       1.754500    
 H    1.061400       1.944000      0.7155000    
 H   0.5138000       1.819100       2.275500    
 H  -0.6355000       1.847000      -1.608500    
 H   0.3641000       1.947200      -3.040300    
 H  -0.3698000      0.4225000      -2.676300    
 H   -3.636000       3.294300       2.188900    
 H    4.479700       2.982600      -1.558900    


%chk=000077435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077435

0 1
S -0.112091 -1.107277 0.031221
O -4.596629 2.851866 1.194427
O 4.925804 2.062943 -1.282643
C -3.233246 -1.374671 -0.964922
C 2.936521 -1.832387 1.010266
C -2.801202 -0.123846 -0.133044
C 2.698850 -0.554496 0.141364
C -1.483638 0.102992 0.409560
C 1.426694 -0.137340 -0.397520
C -4.751950 -1.352059 -1.307040
C -2.994252 -2.671261 -0.129124
C -2.482160 -1.459444 -2.328734
C 4.444003 -2.045883 1.334136
C 2.477689 -3.100708 0.224563
C 2.204066 -1.748071 2.384556
C -3.795442 0.837344 0.173601
C 3.828838 0.227777 -0.201403
C -1.227050 1.195560 1.292458
C 1.335386 0.958153 -1.309489
C -3.529057 1.958445 0.981955
C 3.732923 1.355678 -1.037815
C -2.258420 2.129419 1.558761
C 2.498206 1.710315 -1.608539
C 0.103826 1.408099 1.990449
C 0.048949 1.360403 -2.006401
H -5.023761 -0.490847 -1.944749
H -5.385086 -1.337896 -0.401178
H -4.997545 -2.270473 -1.870431
H -1.928933 -2.841063 0.096312
H -3.360950 -3.549205 -0.694202
H -3.545950 -2.622726 0.827837
H -1.395767 -1.577974 -2.195905
H -2.855633 -2.331075 -2.898859
H -2.672571 -0.552214 -2.932274
H 4.862912 -1.221282 1.939591
H 4.547757 -2.974425 1.924424
H 5.055335 -2.162385 0.420685
H 1.397810 -3.098977 0.005120
H 2.696196 -4.005036 0.823463
H 3.023598 -3.180811 -0.733540
H 1.110840 -1.694119 2.267791
H 2.547719 -0.864241 2.953914
H 2.440670 -2.649694 2.980899
H -4.811731 0.734378 -0.206737
H 4.821076 -0.025472 0.172361
H -2.054168 2.973904 2.230441
H 2.421375 2.558971 -2.301161
H 0.499805 0.459474 2.387885
H 0.874866 1.810853 1.309363
H -0.010846 2.116527 2.829051
H -0.638467 1.906832 -1.335946
H 0.267767 2.012236 -2.869859
H -0.500907 0.477076 -2.369171
H -4.318762 3.594937 1.785414
H 4.762235 2.827377 -1.888882


