%chk=000046443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046443

0 1
 S   -1.906800      0.9192000     -0.3409000    
 O    4.259200     -0.8441000      0.3500000    
 O    3.424700       1.141400     -0.3773000    
 N   -4.176400      0.4756000      0.9245000    
 N   -3.573600      -1.128100     -0.7014000    
 C   0.7817000      0.3708000     -0.1107000    
 C    1.889700     -0.6236000      0.2221000    
 C  -0.5926000     -0.2714000      4.9199998E-02
 C    3.247800     -1.8000000E-03  2.2800000E-02
 C   -3.353700     -3.7999999E-02 -3.8199998E-02
 H   0.8689000       1.246200      0.5461000    
 H   0.9087000      0.7290000      -1.140700    
 H    1.817600      -1.501200     -0.4293000    
 H    1.805800     -0.9423000       1.266700    
 H  -0.6796000      -1.135600     -0.6171000    
 H  -0.7305000     -0.6210000       1.077800    
 H    5.138200     -0.4275000      0.2230000    
 H   -5.039600      9.9999998E-03   1.183100    
 H   -3.947100       1.336400       1.409100    
 H   -2.808300      -1.275900      -1.367300    


%chk=000046443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046443

0 1
S -1.901267 1.042083 -0.091807
O 4.345667 -0.956352 0.094204
O 3.601144 1.243632 0.067126
N -4.488255 0.689078 0.582344
N -3.500680 -1.360656 0.014749
C 0.826949 0.417589 0.002929
C 1.965940 -0.622178 0.019186
C -0.545539 -0.275176 -0.043283
C 3.339419 0.022236 0.060935
C -3.407669 -0.073081 0.178910
H 0.897008 1.059996 0.899065
H 0.949509 1.084411 -0.870090
H 1.927957 -1.276580 -0.873795
H 1.883340 -1.299146 0.891806
H -0.638870 -0.901637 -0.948940
H -0.715877 -0.898009 0.852474
H 5.236321 -0.511754 0.120220
H -5.388017 0.221990 0.680509
H -4.374321 1.646754 0.903099
H -2.678658 -1.835101 -0.388142


