%chk=000038567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038567

0 1
 O   0.7298000      -2.394600      0.4392000    
 N    5.771900       1.448800     -0.2807000    
 N   -5.377600       1.094800     -0.2240000    
 C    2.070400     -0.4984000      0.1055000    
 C    2.194700      0.8422000      0.4703000    
 C    3.175400      -1.192200     -0.3875000    
 C   0.7883000      -1.172000      0.2381000    
 C    4.528900      0.7952000     -0.1510000    
 C    3.423800       1.489100      0.3420000    
 C    4.404600     -0.5456000     -0.5156000    
 C   -2.957600     -0.2388000      4.2399999E-02
 C  -0.4691000     -0.3613000      9.5100001E-02
 C   -1.672700     -0.9463000      0.1830000    
 C   -3.001100       1.130200      0.2186000    
 C   -4.097200     -0.9556000     -0.2640000    
 C   -4.232700       1.748600      7.4800000E-02
 C   -5.279800     -0.2439000     -0.3861000    
 H    1.371100       1.410100      0.8926000    
 H    3.097500      -2.235900     -0.6812000    
 H    3.510400       2.531700      0.6371000    
 H    5.258200      -1.096700     -0.9021000    
 H  -0.3672000      0.6879000     -0.1499000    
 H   -1.749600      -2.013700      0.3764000    
 H   -2.143400       1.738000      0.4808000    
 H   -4.088900      -2.030500     -0.4085000    
 H   -4.334900       2.820900      0.2058000    
 H   -6.209800     -0.7489000     -0.6259000    
 H    6.573200      0.9463000     -0.6386000    
 H    5.862500       2.421000     -1.7300000E-02


%chk=000038567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038567

0 1
O 0.696683 -2.338578 -0.371340
N 5.995485 1.312299 0.037912
N -5.639013 0.958102 0.168988
C 2.098763 -0.395487 -0.131345
C 2.280914 1.004735 0.062332
C 3.268039 -1.201781 -0.265451
C 0.773294 -1.071820 -0.201790
C 4.724085 0.756933 -0.016720
C 3.562025 1.574651 0.119550
C 4.551395 -0.649646 -0.211204
C -3.014353 -0.206253 -0.025840
C -0.473529 -0.258332 -0.073747
C -1.701266 -0.858291 -0.132295
C -3.197798 1.195062 0.160131
C -4.194116 -0.998728 -0.110133
C -4.502232 1.719234 0.249814
C -5.461272 -0.385699 -0.009442
H 1.419746 1.671170 0.172772
H 3.124021 -2.277329 -0.413370
H 3.675239 2.655158 0.269442
H 5.433343 -1.292975 -0.317734
H -0.387710 0.824232 0.065747
H -1.698215 -1.949018 -0.275257
H -2.341392 1.872842 0.234624
H -4.119822 -2.082605 -0.252767
H -4.663267 2.793875 0.392562
H -6.378281 -0.982229 -0.072375
H 6.822881 0.729933 -0.058820
H 6.125454 2.310947 0.175055


