%chk=000055413.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055413

0 1
 O   -3.630300      0.3821000     -0.6977000    
 N   0.9850000     -0.6152000      0.3986000    
 N    3.782900     -0.1509000      5.9200000E-02
 N   -7.908300       2.030800      0.7766000    
 C    1.957000      -1.664900      0.7286000    
 C    1.474400      0.1803000     -0.7338000    
 C    3.309800      -1.059900       1.110800    
 C    2.811900      0.8463000     -0.4014000    
 C  -0.3181000      -1.202100      8.8399999E-02
 C   -1.344400     -0.1044000     -0.1734000    
 C    5.151500      0.1363000      4.9999999E-03
 C   -2.718500     -0.6853000     -0.4783000    
 C    5.621200       1.458900      0.1326000    
 C    6.101500     -0.8883000     -0.1790000    
 C    6.985300       1.745100      7.8299999E-02
 C    7.465700     -0.6021000     -0.2330000    
 C    7.907500      0.7146000     -0.1044000    
 C   -4.943500      0.1488000     -0.3815000    
 C   -5.748600       1.203200      3.3700000E-02
 C   -5.456400      -1.139300     -0.4807000    
 C   -7.085200      0.9661000      0.3543000    
 C   -6.793100      -1.376300     -0.1603000    
 C   -7.607500     -0.3237000      0.2574000    
 H    1.595800      -2.257800       1.577800    
 H    2.088500      -2.352300     -0.1180000    
 H    1.585000     -0.4436000      -1.630900    
 H   0.8060000       1.007300     -0.9848000    
 H    3.222900     -0.5055000       2.054200    
 H    4.014400      -1.881800       1.282700    
 H    3.175700       1.350800      -1.305300    
 H    2.663200       1.607500      0.3755000    
 H  -0.2560000      -1.873600     -0.7779000    
 H  -0.6602000      -1.802400      0.9409000    
 H   -1.415900      0.5731000      0.6874000    
 H   -1.089200      0.5197000      -1.035100    
 H   -3.017500      -1.302800      0.3788000    
 H   -2.672100      -1.309300      -1.378500    
 H    4.933700       2.286400      0.2889000    
 H    5.779900      -1.921000     -0.2947000    
 H    7.330200       2.769900      0.1811000    
 H    8.183700      -1.403900     -0.3782000    
 H    8.969600      0.9376000     -0.1465000    
 H   -5.333500       2.205400      0.1064000    
 H   -4.864800      -1.980400     -0.8288000    
 H   -7.202000      -2.379200     -0.2420000    
 H   -8.647800     -0.5211000      0.5030000    
 H   -8.877700       1.859800       1.008700    
 H   -7.530100       2.966200      0.8463000    


%chk=000055413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055413

0 1
O -3.728730 0.378072 0.213929
N 1.083123 -0.695877 0.349406
N 3.919071 -0.171344 -0.014476
N -8.217598 2.130593 0.228864
C 2.076766 -1.796682 0.394958
C 1.555208 0.345573 -0.594110
C 3.442087 -1.267968 0.860408
C 2.923598 0.906840 -0.166550
C -0.278488 -1.196830 0.037131
C -1.374972 -0.131689 0.246904
C 5.301422 0.145835 -0.056231
C -2.774160 -0.733759 0.089990
C 5.758967 1.493413 -0.187050
C 6.292287 -0.884061 -0.009373
C 7.136308 1.786771 -0.281363
C 7.663879 -0.577055 -0.094395
C 8.105187 0.760489 -0.234593
C -5.100251 0.081649 0.087341
C -5.957565 1.196613 0.215156
C -5.615695 -1.217816 -0.150745
C -7.362716 1.032469 0.104598
C -7.018887 -1.367026 -0.258495
C -7.892788 -0.272284 -0.135905
H 1.725458 -2.562987 1.111118
H 2.195623 -2.284487 -0.607029
H 1.639870 -0.064004 -1.634323
H 0.832261 1.179157 -0.613588
H 3.344000 -0.906310 1.909691
H 4.166370 -2.096704 0.855792
H 3.263454 1.603427 -0.952315
H 2.800662 1.482512 0.780457
H -0.339688 -1.593932 -1.011415
H -0.473751 -2.052021 0.714853
H -1.267668 0.304938 1.256027
H -1.275206 0.691994 -0.483409
H -2.975004 -1.490565 0.877443
H -2.889754 -1.218789 -0.902924
H 5.046618 2.323151 -0.192190
H 5.993320 -1.934469 0.064249
H 7.451044 2.832697 -0.378465
H 8.394542 -1.394016 -0.062341
H 9.172802 0.993360 -0.303005
H -5.512805 2.180571 0.399396
H -4.962198 -2.087799 -0.250398
H -7.434817 -2.364578 -0.442450
H -8.976344 -0.414763 -0.223155
H -9.223308 2.015763 0.151875
H -7.849934 3.061027 0.401705


