%chk=000111647.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111647

0 1
 O    1.398800      -1.826500      0.3108000    
 N    1.375300       1.802300      0.2841000    
 N    2.973200     -0.3531000     -0.5328000    
 C   -2.830300      4.8400000E-02  0.9511000    
 C   -4.033800     -8.2400002E-02 -1.7000000E-03
 C   -1.489600      0.1967000      0.2204000    
 C  -0.2964000      0.3011000       1.178600    
 C   -3.848300      -1.302800     -0.9067000    
 C   -4.238300       1.168200     -0.8579000    
 C    1.023100      0.5251000      0.4837000    
 C    1.792300     -0.5363000      9.0599999E-02
 C    2.556100       1.985500     -0.3394000    
 C    3.340900      0.9268000     -0.7408000    
 C    2.277000      -2.853100     -0.1399000    
 H   -2.983700      0.9137000       1.607800    
 H   -2.789500     -0.8343000       1.601700    
 H   -4.931300     -0.2336000      0.6109000    
 H   -1.315900     -0.6584000     -0.4416000    
 H   -1.506300       1.090200     -0.4143000    
 H  -0.2440000     -0.5906000       1.815600    
 H  -0.4656000       1.140700       1.866000    
 H   -3.070400      -1.152800      -1.661800    
 H   -4.779200      -1.511800      -1.446200    
 H   -3.600800      -2.195300     -0.3226000    
 H   -3.426500       1.318000      -1.576400    
 H   -4.309600       2.061900     -0.2292000    
 H   -5.169600       1.088400      -1.429400    
 H    2.852300       3.013600     -0.5069000    
 H    4.289600       1.074700      -1.241800    
 H    3.244300      -2.793500      0.3700000    
 H    2.404900      -2.810400      -1.226700    
 H    1.823000      -3.816800      0.1090000    


%chk=000111647-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111647

0 1
O 1.284149 -1.741638 0.225711
N 1.548847 1.895779 0.436649
N 3.009536 -0.324968 -0.562287
C -2.795448 0.066541 0.925278
C -4.018641 -0.149332 -0.013032
C -1.431672 0.240319 0.218081
C -0.280603 0.442851 1.246680
C -3.903871 -1.454808 -0.837616
C -4.275761 1.068604 -0.933436
C 1.058631 0.634685 0.578231
C 1.818290 -0.473523 0.060557
C 2.755321 2.055282 -0.200745
C 3.479878 0.955140 -0.694910
C 2.085814 -2.872751 -0.294042
H -2.986140 0.961320 1.554438
H -2.726195 -0.797000 1.619882
H -4.903627 -0.254533 0.651069
H -1.206144 -0.648803 -0.399944
H -1.458173 1.116163 -0.457514
H -0.243639 -0.439020 1.913841
H -0.488171 1.340125 1.857147
H -3.077171 -1.398210 -1.570074
H -4.835403 -1.645871 -1.402817
H -3.717969 -2.327233 -0.182888
H -3.460353 1.197980 -1.669222
H -4.355251 2.003942 -0.347716
H -5.217177 0.941309 -1.500108
H 3.126101 3.079391 -0.301570
H 4.443574 1.075728 -1.199857
H 3.070852 -2.908831 0.200958
H 2.236211 -2.772427 -1.382130
H 1.485903 -3.762611 -0.054414


