%chk=000127998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127998

0 1
 S    4.267400     -0.3339000     -9.4200000E-02
 O  -0.9306000      -1.636600      -1.455400    
 O    1.508900      -2.701700      0.3291000    
 O    1.132000      -1.061700       1.849100    
 O    4.968100       2.212400      5.3100001E-02
 C    1.501800     -0.4437000     -0.4812000    
 C   0.1840000      0.3409000     -0.6247000    
 C    2.670800      0.5298000     -0.2476000    
 C   -1.023800     -0.5526000     -0.8847000    
 C   -2.368300     -8.2199998E-02 -0.4420000    
 C    1.366100      -1.402800      0.6965000    
 C   -2.615900       1.271600     -0.4090000    
 C   -3.311100      -1.019300     -8.4500000E-02
 C   -4.849800      0.7864000      0.3726000    
 C   -3.873400       1.711700      3.8999999E-03
 C   -4.568600     -0.5792000      0.3284000    
 C   -6.195400       1.256000      0.8125000    
 C    5.347300       1.047600      6.4300001E-02
 C    6.790200      0.6572000      0.2138000    
 H    1.678500      -1.023600      -1.396300    
 H   1.1300000E-02  0.9164000      0.2929000    
 H   0.2626000       1.042500      -1.463600    
 H    2.507200       1.110200      0.6676000    
 H    2.733000       1.230500      -1.087600    
 H   -1.879900       2.011000     -0.7074000    
 H   -3.104000      -2.084700     -0.1097000    
 H   -4.082500       2.778000      2.8500000E-02
 H   -5.321400      -1.309800      0.6122000    
 H   -6.631400      0.5713000       1.547900    
 H   -6.134500       2.240500       1.288600    
 H   -6.869200       1.323500     -4.7300000E-02
 H    1.408000      -3.310500       1.091600    
 H    7.128000      0.1067000     -0.6686000    
 H    6.928900      5.2400000E-02   1.114300    
 H    7.400100       1.560700      0.3096000    


%chk=000127998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127998

0 1
S 4.541952 0.107538 0.929800
O -0.493840 -1.648515 -0.570719
O 2.467446 -2.635189 0.380350
O 1.270448 -2.010321 2.267275
O 3.858987 1.497618 -1.335359
C 1.716994 -0.333631 0.512063
C 0.306578 0.280041 0.674700
C 2.740787 0.602844 1.202205
C -0.781499 -0.537174 -0.033772
C -2.177226 0.001515 -0.068470
C 1.757492 -1.718314 1.149824
C -2.546809 1.219839 0.561082
C -3.177715 -0.741499 -0.754768
C -4.878199 0.944327 -0.184627
C -3.878704 1.679621 0.503266
C -4.502247 -0.276766 -0.811186
C -6.307918 1.445116 -0.262437
C 4.761755 0.845091 -0.765725
C 6.120701 0.544462 -1.365355
H 1.964464 -0.433454 -0.556722
H 0.051238 0.342737 1.752038
H 0.308040 1.313395 0.277961
H 2.600934 0.622543 2.295932
H 2.645992 1.620251 0.786089
H -1.803241 1.812396 1.104376
H -2.883014 -1.682092 -1.231986
H -4.149467 2.619971 0.997524
H -5.261578 -0.862023 -1.343931
H -7.026469 0.653788 0.019499
H -6.473729 2.309920 0.401923
H -6.561918 1.759440 -1.292981
H 2.468057 -3.517506 0.842700
H 6.015343 -0.286655 -2.087719
H 6.857071 0.248944 -0.600972
H 6.483694 1.426740 -1.919180


