%chk=000033798.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033798

0 1
 S    2.488300      0.1769000     -0.5163000    
 O    3.059800      -1.034600      -1.087000    
 O    2.701800       1.457300      -1.177100    
 O    5.283800     -0.5249000      0.5731000    
 O   -4.237900       1.488600      0.1183000    
 N   -3.340400     -0.6912000      0.1540000    
 C    3.104400      0.3420000       1.144100    
 C   0.7726000     -7.8900002E-02 -0.3188000    
 C  -9.6400000E-02   1.011900     -0.2903000    
 C   0.2707000      -1.374000     -0.1897000    
 C    4.602700      0.5736000       1.165700    
 C   -1.969000     -0.4871000     -3.5000001E-03
 C   -1.467200      0.8078000     -0.1326000    
 C   -1.100200      -1.578100     -3.2000002E-02
 C   -4.357700      0.2708000      0.2056000    
 C   -5.715400     -0.3604000      0.3866000    
 H    2.580000       1.177700       1.616500    
 H    2.855900     -0.5887000       1.664400    
 H   0.2751000       2.028800     -0.3827000    
 H   0.9295000      -2.237700     -0.2018000    
 H    4.868400       1.480200      0.6128000    
 H    4.951200      0.6786000       2.197800    
 H   -2.076200       1.700800     -0.1182000    
 H   -1.477500      -2.592500      6.9100000E-02
 H   -3.627400      -1.663900      0.2417000    
 H    6.235000     -0.3280000      0.6172000    
 H   -5.937200      -1.009900     -0.4648000    
 H   -6.480800      0.4180000      0.4489000    
 H   -5.731600     -0.9478000       1.309000    


%chk=000033798-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033798

0 1
S 2.817318 -0.689954 -0.585821
O 3.171813 -2.200206 -1.101115
O 3.239588 0.661084 -1.445716
O 4.575402 1.800464 0.711417
O -3.759636 1.782658 0.004805
N -3.221487 -0.496698 0.180733
C 3.629287 -0.446925 1.174554
C 0.953737 -0.593560 -0.324514
C 0.314133 0.651815 -0.428893
C 0.260977 -1.795131 -0.095207
C 3.649270 1.042783 1.536318
C -1.814072 -0.478874 0.000476
C -1.084129 0.716280 -0.258497
C -1.134022 -1.729259 0.070982
C -4.118132 0.583513 0.177862
C -5.576660 0.198469 0.405044
H 3.023838 -1.081095 1.843164
H 4.639965 -0.859015 1.021526
H 0.892113 1.549680 -0.672044
H 0.795090 -2.750889 -0.081289
H 2.619757 1.464375 1.510882
H 4.018582 1.134682 2.574195
H -1.618252 1.664993 -0.328294
H -1.699684 -2.652398 0.247540
H -3.633425 -1.420049 0.332895
H 4.292952 1.667535 -0.244303
H -6.177432 0.559474 -0.447151
H -5.947495 0.717281 1.305766
H -5.745095 -0.885732 0.524684


