%chk=000028899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028899

1 1
 S    1.641200     -0.7972000     -0.8241000    
 N   -2.319200      2.5300000E-02  6.9200002E-02
 N    3.798300     -0.7232000      0.6866000    
 N    3.039900       1.361100     -0.1253000    
 C   -1.119500     -0.6433000     -0.5865000    
 C   -2.258800       1.526500     -0.1734000    
 C   -3.601600     -0.5342000     -0.5298000    
 C   -2.297200     -0.2479000       1.566200    
 C   0.1737000     -4.1200001E-02 -6.1900001E-02
 C    2.943300      7.4199997E-02 -2.1000000E-02
 H   -1.183900      -1.717100     -0.3725000    
 H   -1.215900     -0.4944000      -1.669200    
 H   -1.476500       1.977100      0.4425000    
 H   -2.085500       1.705300      -1.238700    
 H   -3.222200       1.954600      0.1230000    
 H   -3.622300      -1.613800     -0.3538000    
 H   -4.454800     -5.2499998E-02 -4.3099999E-02
 H   -3.604600     -0.3198000      -1.602600    
 H   -2.193600      -1.325200       1.725300    
 H   -1.479500      0.3021000       2.037500    
 H   -3.245300      0.1022000       1.987200    
 H   0.2365000       1.026200     -0.2803000    
 H   0.2845000     -0.1821000       1.015600    
 H    4.587200     -0.3331000       1.190500    
 H    3.668000      -1.728100      0.7294000    
 H    2.282900       1.708500     -0.7228000    


%chk=000028899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028899

1 1
S 1.966934 0.675383 -1.105002
N -2.075006 0.148980 0.083063
N 3.118504 -1.557603 -0.061647
N 2.029878 -0.325063 1.619165
C -0.661310 -0.034997 -0.551761
C -2.844152 1.263490 -0.620442
C -2.831973 -1.169965 -0.085925
C -1.954046 0.460640 1.574636
C 0.253919 1.195172 -0.503715
C 2.386872 -0.485163 0.379725
H -0.199292 -0.869939 0.003086
H -0.829281 -0.346757 -1.596895
H -2.323351 2.220262 -0.471548
H -2.906895 1.034715 -1.695400
H -3.856376 1.325096 -0.191977
H -2.282960 -1.968013 0.436674
H -3.839957 -1.067144 0.344620
H -2.906762 -1.408663 -1.157802
H -1.305303 -0.293136 2.047519
H -1.521868 1.462561 1.707617
H -2.957703 0.432892 2.025984
H -0.050764 1.994655 -1.197500
H 0.359681 1.622245 0.506907
H 3.576452 -2.149994 0.631905
H 3.239539 -1.757608 -1.052344
H 1.690322 0.607953 1.899059


