%chk=000081582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081582

0 1
 O   -1.752500       1.909800       1.706800    
 N   -3.097100     -0.4147000     -0.2143000    
 N   0.9535000      0.5791000     -0.8778000    
 N   -3.253500       2.373300      2.5800001E-02
 C   -1.886000      0.3890000     -0.1427000    
 C   -1.422000      0.7593000      -1.557000    
 C  -0.7881000     -0.3879000      0.5947000    
 C   -3.579200     -0.8169000       1.106700    
 C   -2.894100      -1.667200     -0.9419000    
 C  -4.0100001E-02   1.423800      -1.553400    
 C   0.5694000      0.3206000      0.5161000    
 C   -4.571000      -1.924800      0.7842000    
 C   -4.118600      -2.485900     -0.5604000    
 C   -2.270700       1.625400      0.6299000    
 C    2.277000       1.199700     -0.9366000    
 C    3.334800      0.3262000     -0.3266000    
 C    3.625700      0.4419000       1.027700    
 C    4.013300     -0.5896000      -1.122300    
 C    4.608800     -0.3694000       1.594300    
 C    4.996300      -1.401000     -0.5557000    
 C    5.294000      -1.290800      0.8026000    
 H   -2.128200       1.414500      -2.079600    
 H   -1.319300     -0.1302000      -2.190500    
 H  -0.6077000      -1.389100      0.1976000    
 H  -0.9947000     -0.5095000       1.664200    
 H   -4.081600     -7.1999999E-03   1.646000    
 H   -2.825900      -1.253300       1.767600    
 H   -2.019900      -2.261000     -0.6722000    
 H   -2.888700      -1.526800      -2.027500    
 H   0.2601000       1.584400      -2.596500    
 H  -0.1022000       2.412800      -1.081100    
 H   0.5663000       1.245500       1.104900    
 H    1.259700     -0.3751000       1.001000    
 H   -5.587400      -1.523700      0.6944000    
 H   -4.583000      -2.696400       1.561000    
 H   -3.885700      -3.553700     -0.4933000    
 H   -4.918100      -2.363600      -1.300700    
 H    2.550400       1.395400      -1.982400    
 H    2.280300       2.181900     -0.4432000    
 H   -3.590300       3.228900      0.4547000    
 H   -3.717000       2.086300     -0.8299000    
 H    3.112800       1.165700       1.655200    
 H    3.788700     -0.6858000      -2.181000    
 H    4.843100     -0.2812000       2.651000    
 H    5.529700      -2.118800      -1.172000    
 H    6.060000      -1.922000       1.243500    


%chk=000081582-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081582

0 1
O -1.731119 2.433092 1.351898
N -3.106025 -0.505037 -0.264513
N 1.030401 0.727688 -0.571516
N -3.679333 2.059335 0.133965
C -1.899913 0.373455 -0.063409
C -1.278427 0.718959 -1.453546
C -0.795444 -0.279267 0.824569
C -3.720443 -1.067229 0.975308
C -3.006612 -1.656663 -1.211357
C 0.030161 1.520221 -1.329035
C 0.556481 0.467072 0.815231
C -4.868188 -1.926623 0.410879
C -4.261620 -2.530937 -0.896581
C -2.417647 1.711383 0.566050
C 2.374130 1.352200 -0.589016
C 3.484825 0.399073 -0.153916
C 4.585078 0.872663 0.601808
C 3.458013 -0.964787 -0.541230
C 5.645233 0.006326 0.956691
C 4.512587 -1.833793 -0.185194
C 5.612950 -1.351083 0.563127
H -2.015092 1.269754 -2.067960
H -1.031004 -0.226482 -1.969296
H -0.632246 -1.310576 0.451718
H -1.138166 -0.344839 1.873280
H -4.059926 -0.256746 1.643932
H -3.009166 -1.708624 1.545695
H -2.077412 -2.251605 -1.049348
H -2.998928 -1.302052 -2.255491
H 0.431808 1.711368 -2.342646
H -0.164714 2.511466 -0.850739
H 0.446522 1.417523 1.383790
H 1.314689 -0.155907 1.324256
H -5.735637 -1.285527 0.173708
H -5.200391 -2.700394 1.124438
H -3.967494 -3.584963 -0.750157
H -4.992241 -2.505287 -1.722809
H 2.568793 1.675849 -1.632336
H 2.416727 2.275861 0.043133
H -4.099707 2.934462 0.442211
H -4.183297 1.354703 -0.416347
H 4.610420 1.923335 0.918246
H 2.592926 -1.325336 -1.109132
H 6.488996 0.387735 1.543350
H 4.479131 -2.886498 -0.490055
H 6.431621 -2.025365 0.839649


