%chk=000048692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048692

1 1
 S    1.850400      -1.250100      0.8261000    
 O    2.053100     -3.9600000E-02  -1.476800    
 N   -2.681100       1.224100      8.8600002E-02
 N    3.681400      0.5889000      6.2100001E-02
 C   -1.893900     -8.7899998E-02  4.7300000E-02
 C   -3.842600       1.068900       1.066100    
 C   -3.191100       1.535100      -1.315900    
 C   -1.822100       2.398500      0.5529000    
 C  -0.5890000     -3.2000002E-02  0.4071000    
 C   -2.569100      -1.195000     -0.3449000    
 C   0.1277000      -1.228000      0.3698000    
 C   -1.852100      -2.391000     -0.3824000    
 C  -0.5037000      -2.407500     -2.5200000E-02
 C    2.548700     -0.1267000     -0.3553000    
 C    4.302800      0.5151000       1.384900    
 C    4.380600       1.427300     -0.9042000    
 H   -3.443500      0.7692000       2.040500    
 H   -4.348000       2.036600       1.149000    
 H   -4.553300      0.3290000      0.6882000    
 H   -3.916600      0.7779000      -1.625700    
 H   -3.685100       2.511800      -1.289200    
 H   -2.337300       1.564400      -2.000500    
 H   -1.004800       2.561400     -0.1575000    
 H   -2.455800       3.292900      0.5563000    
 H   -1.476300       2.220400       1.576400    
 H  -5.8200002E-02  0.8549000      0.7241000    
 H   -3.614400      -1.208200     -0.6280000    
 H   -2.343400      -3.309500     -0.6902000    
 H   3.8699999E-02  -3.349200     -6.1099999E-02
 H    4.717800       1.493800       1.644800    
 H    5.109800     -0.2222000       1.343500    
 H    3.593100      0.2346000       2.164300    
 H    3.892800       1.419700      -1.882100    
 H    5.403200       1.055000      -1.016200    
 H    4.403000       2.454600     -0.5287000    


%chk=000048692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048692

1 1
S 1.978685 -1.194897 0.427507
O 1.765340 1.584775 0.033759
N -2.853290 1.199059 -0.183540
N 3.921667 0.718706 0.315820
C -2.008391 -0.070819 -0.010375
C -3.853159 1.310656 0.975519
C -3.609077 1.129302 -1.517457
C -2.006303 2.473853 -0.193333
C -0.613345 0.039437 0.105840
C -2.671535 -1.316960 0.022325
C 0.154363 -1.141538 0.254836
C -1.889067 -2.483133 0.175460
C -0.485851 -2.405698 0.289348
C 2.562335 0.623277 0.224838
C 4.812018 -0.444413 0.531351
C 4.556808 2.049786 0.155780
H -3.289707 1.341631 1.919452
H -4.443646 2.231488 0.848661
H -4.517443 0.436151 0.972314
H -4.264442 0.248092 -1.520637
H -4.208920 2.045306 -1.635440
H -2.873334 1.043779 -2.330428
H -1.288219 2.436497 -1.024463
H -2.687199 3.328313 -0.326317
H -1.469757 2.569714 0.761021
H -0.073281 0.987996 0.077407
H -3.758293 -1.414590 -0.066402
H -2.379428 -3.460625 0.203279
H 0.103139 -3.321584 0.402350
H 5.834928 -0.071731 0.691794
H 4.818585 -1.118168 -0.344473
H 4.513335 -1.017906 1.426492
H 3.776572 2.802865 -0.023629
H 5.252531 2.034634 -0.701875
H 5.115081 2.313942 1.071318


