%chk=000050945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050945

0 1
 S   -2.448500       1.175600      5.8200002E-02
 O    3.402200      0.5016000     -0.3162000    
 O   -2.747600       2.556400     -0.2879000    
 O   -3.101600      8.9299999E-02 -0.6557000    
 O   -1.229600      -2.106500      0.7728000    
 O   -1.447800      -1.903100      -1.509700    
 N   -2.692400      0.9587000       1.734500    
 C  -0.7165000      0.9461000     -5.4499999E-02
 C  -0.1642000     -0.3151000     -0.2789000    
 C    2.051700      0.6468000     -0.2298000    
 C   0.1154000       2.057400      8.2199998E-02
 C    1.220000     -0.4647000     -0.3665000    
 C    1.499400       1.907800     -5.5000000E-03
 C   -1.000900      -1.498100     -0.4301000    
 C    3.949300     -0.7468000      0.1055000    
 C    5.352300     -0.5195000      0.6267000    
 C   -2.041200      -3.285700      0.7549000    
 H  -0.2886000       3.049100      0.2650000    
 H    1.620400      -1.454400     -0.5703000    
 H    2.142600       2.776800      0.1034000    
 H    3.365100      -1.194800      0.9193000    
 H    3.978000      -1.433800     -0.7475000    
 H   -2.930200       1.787200       2.293500    
 H   -3.166800      0.1003000       2.040400    
 H    5.807400      -1.460000      0.9496000    
 H    5.983000     -7.0000000E-02 -0.1475000    
 H    5.341900      0.1767000       1.471900    
 H   -1.570000      -4.058700      0.1406000    
 H   -3.040900      -3.048900      0.3789000    
 H   -2.128500      -3.654600       1.780100    


%chk=000050945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050945

0 1
S -2.483679 1.070687 0.002906
O 3.576016 0.631321 0.163858
O -2.692287 2.670574 -0.203691
O -3.142130 0.054264 -1.087990
O -1.939574 -1.770166 0.783284
O -0.298170 -2.843697 -0.482606
N -3.013674 0.771757 1.719178
C -0.612637 0.771231 0.158011
C -0.009127 -0.505044 0.127082
C 2.185431 0.604136 0.162820
C 0.148066 1.954617 0.197591
C 1.407375 -0.577389 0.112916
C 1.549141 1.872558 0.211395
C -0.735425 -1.814137 0.077024
C 4.304828 -0.659262 0.085741
C 5.792263 -0.324108 0.095096
C -2.891294 -2.889551 0.552748
H -0.367835 2.920493 0.194436
H 1.859799 -1.570843 0.056139
H 2.169655 2.772290 0.245799
H 4.024051 -1.286643 0.955718
H 4.011409 -1.184230 -0.845337
H -3.928681 1.220919 1.878369
H -2.968163 -0.241108 1.911033
H 6.387267 -1.253299 0.036474
H 6.054564 0.313402 -0.765973
H 6.067449 0.209405 1.020558
H -2.343306 -3.785032 0.220776
H -3.601040 -2.550122 -0.219204
H -3.396894 -3.067924 1.513250


