%chk=000052774.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052774

0 1
 O    1.037300      -1.011100       1.692600    
 N    2.942300     -0.2738000     -0.3801000    
 N    4.945100      0.1746000      0.4294000    
 C   0.5826000     -0.6486000      0.3820000    
 C  -0.7168000      -1.334700      0.1046000    
 C    1.698600     -0.9942000     -0.6245000    
 C   -1.896100     -0.6114000     -8.2800001E-02
 C  -0.7326000      -2.727900      3.5799999E-02
 C   -1.906600      0.8340000     -1.5799999E-02
 C   -3.091100      -1.286000     -0.3395000    
 C   -1.927500      -3.400000     -0.2210000    
 C   -3.106800      -2.679200     -0.4086000    
 C    3.277300      0.9321000     -0.9055000    
 C    3.961000     -0.6967000      0.4122000    
 C   -2.134600       1.473900       1.202600    
 C   -1.688300       1.587500      -1.169300    
 C    4.525100       1.192600     -0.3896000    
 C   -2.144500       2.867200       1.267500    
 C   -1.698200       2.980900      -1.104200    
 C   -1.926200       3.620700      0.1142000    
 H   0.4915000      0.4402000      0.4038000    
 H    1.959700      -2.058700     -0.5897000    
 H    1.385400     -0.7622000      -1.649700    
 H   0.1704000      -3.311800      0.1908000    
 H   -4.020700     -0.7412000     -0.4883000    
 H   -1.940600      -4.484800     -0.2719000    
 H   -4.037300      -3.202700     -0.6077000    
 H    2.632300       1.487200      -1.572400    
 H   0.2899000     -0.9133000       2.307400    
 H    3.941800      -1.634800      0.9500000    
 H   -2.305100      0.9015000       2.111400    
 H   -1.507500       1.104500      -2.126600    
 H    5.142000       2.061600     -0.5661000    
 H   -2.321400       3.365500       2.216100    
 H   -1.527500       3.567700      -2.002000    
 H   -1.933400       4.705600      0.1648000    


%chk=000052774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052774

0 1
O 1.392049 -1.985941 1.508497
N 2.667095 0.030115 -0.269524
N 4.746598 0.575530 0.459842
C 0.607888 -1.027385 0.711474
C -0.769773 -1.581209 0.328534
C 1.465016 -0.763479 -0.550381
C -1.826679 -0.723526 -0.109690
C -0.964340 -2.984286 0.321322
C -1.692581 0.771158 -0.157502
C -3.044358 -1.308274 -0.546818
C -2.186538 -3.550052 -0.102278
C -3.231574 -2.707488 -0.541781
C 2.798104 1.419215 -0.432509
C 3.864851 -0.428535 0.277510
C -1.492203 1.540975 1.020425
C -1.803586 1.452743 -1.399693
C 4.082119 1.734171 0.017210
C -1.389982 2.948040 0.956476
C -1.698626 2.860727 -1.465918
C -1.486713 3.613672 -0.288104
H 0.507793 -0.072254 1.260919
H 1.756075 -1.741884 -0.973609
H 0.856239 -0.230293 -1.298837
H -0.136884 -3.622900 0.647398
H -3.856161 -0.649013 -0.874636
H -2.319147 -4.637591 -0.095626
H -4.184570 -3.133486 -0.874213
H 1.995700 2.028618 -0.842401
H 1.013443 -2.043468 2.421367
H 4.022631 -1.472355 0.533720
H -1.449176 1.037510 1.993627
H -1.963028 0.872212 -2.316082
H 4.568585 2.706465 0.046163
H -1.241209 3.523902 1.876528
H -1.782367 3.367561 -2.433811
H -1.405192 4.705000 -0.337701


