%chk=000058859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058859

0 1
 S   -3.543200      0.6112000      0.3269000    
 N    3.844600       1.118800     -0.1111000    
 N    1.198900      -2.447500      0.3550000    
 C   -1.007900      0.5286000     -8.0499999E-02
 C   -1.522000     -0.7206000     -0.5335000    
 C   -1.999900       1.348100      0.4117000    
 C   0.3547000      0.9098000     -0.1193000    
 C   -2.887000     -0.8085000     -0.3700000    
 C    1.467000      0.1010000     -6.8999999E-03
 C    2.777900      0.6636000     -6.4300001E-02
 C    1.316800      -1.304500      0.1921000    
 H  -0.9668000      -1.517800      -1.008100    
 H   -1.903000       2.345400      0.8197000    
 H   0.5419000       1.980000     -0.2194000    
 H   -3.532100      -1.633300     -0.6384000    


%chk=000058859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058859

0 1
S -3.671695 0.812982 -0.001569
N 3.886500 1.186695 0.165636
N 1.480506 -2.515020 -0.459108
C -1.036684 0.493469 -0.012859
C -1.608479 -0.832438 -0.226906
C -2.032640 1.474726 0.125507
C 0.360828 0.875678 0.067702
C -2.985172 -0.837744 -0.248291
C 1.498496 0.086772 -0.040569
C 2.801928 0.689481 0.068753
C 1.480409 -1.332901 -0.269669
H -1.018391 -1.740009 -0.357945
H -1.896593 2.542741 0.294317
H 0.546836 1.945022 0.236490
H -3.665949 -1.675154 -0.387590


