%chk=000081776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081776

0 1
 S   -2.513000     -0.9180000      0.4138000    
 S    3.229500     -0.1228000       1.114000    
 S   -1.749500      0.5257000     -0.8305000    
 S    3.807500       1.414300     -0.1194000    
 S   -1.843800       2.275500      0.2352000    
 S    2.119600       1.958600      -1.150100    
 S  -5.8499999E-02   2.402000       1.236300    
 S    1.213500       3.409000     -1.8800000E-02
 C   -4.271800     -0.8724000     -6.2000002E-03
 C    3.518800      -1.576200      7.8299999E-02
 C   -4.430100      -1.202200      -1.493200    
 C   -4.999500      -1.913300      0.8494000    
 C   -4.811100      0.5299000      0.2899000    
 C    5.003300      -1.625900     -0.2943000    
 C    3.129400      -2.823300      0.8770000    
 C    2.655800      -1.460900      -1.181400    
 H   -3.960600      -2.158400      -1.753500    
 H   -5.494400      -1.296400      -1.743800    
 H   -4.034500     -0.4308000      -2.161100    
 H   -4.898600      -1.701400       1.920500    
 H   -4.623000      -2.926500      0.6658000    
 H   -6.072200      -1.922700      0.6222000    
 H   -4.506700       1.279500     -0.4456000    
 H   -5.908100      0.5190000      0.2436000    
 H   -4.551000      0.8761000       1.296900    
 H    5.649200      -1.610100      0.5918000    
 H    5.224100      -2.559200     -0.8277000    
 H    5.316400     -0.8182000     -0.9633000    
 H    2.069800      -2.810600       1.159400    
 H    3.724600      -2.923100       1.792500    
 H    3.294300      -3.731600      0.2853000    
 H    3.031100     -0.7288000      -1.901700    
 H    2.660900      -2.417500      -1.720300    
 H    1.606200      -1.243600     -0.9520000    


%chk=000081776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081776

0 1
S -2.007393 -0.761653 0.058077
S 3.028456 -0.101690 1.242817
S -1.600411 0.913484 -1.370079
S 4.153567 1.517037 0.183077
S -1.870095 2.930798 -0.256546
S 2.665597 2.545826 -1.261248
S -0.066722 3.193460 1.078127
S 1.612390 4.192448 -0.120767
C -3.947842 -1.014655 -0.020931
C 3.104407 -1.631508 0.025681
C -4.359903 -1.318667 -1.471320
C -4.149220 -2.235180 0.907027
C -4.642286 0.243430 0.528183
C 4.573000 -2.048648 -0.165251
C 2.292706 -2.692440 0.805784
C 2.427475 -1.263657 -1.305546
H -3.853173 -2.222113 -1.852791
H -5.453643 -1.486347 -1.515489
H -4.117670 -0.472672 -2.138655
H -3.813990 -2.023759 1.938107
H -3.612049 -3.125388 0.533592
H -5.228165 -2.479173 0.943686
H -4.440709 1.124270 -0.106363
H -5.737533 0.079047 0.543582
H -4.309847 0.473025 1.555055
H 5.045754 -2.310238 0.797435
H 4.622867 -2.932812 -0.830520
H 5.157799 -1.236831 -0.633370
H 1.245437 -2.373034 0.952336
H 2.741916 -2.909862 1.791771
H 2.285410 -3.632579 0.221591
H 2.989305 -0.475805 -1.837633
H 2.398589 -2.158957 -1.957266
H 1.393577 -0.909454 -1.153154


