%chk=000042798.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042798

0 1
 O   -1.618800       1.163500      -1.315500    
 N   -1.781600     -0.2129000      0.5502000    
 N   -3.222600       1.540300      0.2832000    
 C  -0.6803000      -1.109600      0.2211000    
 C   0.6601000     -0.3679000      0.1325000    
 C   -1.010800      -1.772500      -1.128800    
 C  -0.6191000      -2.189100       1.317500    
 C    1.617200     -0.8464000     -0.7293000    
 C   0.8467000      0.7431000      0.9189000    
 C    2.835900     -0.1724000     -0.8096000    
 C    2.065400       1.417100      0.8386000    
 C   -2.152000      0.8477000     -0.2532000    
 C    3.060000      0.9592000     -2.5699999E-02
 H   -2.053600      -2.116300      -1.143000    
 H  -0.8866000      -1.103000      -1.987100    
 H  -0.4030000      -2.666300      -1.312800    
 H   -1.564700      -2.739900       1.385500    
 H  -0.4273000      -1.746800       2.302700    
 H   0.1792000      -2.914500       1.122600    
 H   -2.295000     -0.3610000       1.414200    
 H    1.498800      -1.734600      -1.337500    
 H   0.1008000       1.107300       1.617600    
 H    3.613200     -0.5320000      -1.477700    
 H    2.242400       2.294800       1.453300    
 H    4.009800       1.482400     -8.6099997E-02
 H   -3.649900       1.265800       1.161400    
 H   -3.614200       2.348600     -0.1886000    


%chk=000042798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042798

0 1
O -1.706445 1.073977 -1.447285
N -1.821249 -0.204793 0.522567
N -3.265833 1.622424 0.196923
C -0.713701 -1.144710 0.186283
C 0.627742 -0.375986 0.078625
C -1.067124 -1.937949 -1.099012
C -0.612893 -2.131849 1.385549
C 1.611597 -0.704790 -0.885151
C 0.926456 0.638863 1.024240
C 2.858385 -0.038117 -0.904615
C 2.168454 1.307426 1.008599
C -2.223563 0.836959 -0.314188
C 3.144989 0.969133 0.042901
H -2.051495 -2.422182 -0.968092
H -1.121411 -1.258168 -1.964138
H -0.324704 -2.731299 -1.297361
H -1.552581 -2.706249 1.500090
H -0.398283 -1.594604 2.327453
H 0.207695 -2.847712 1.212824
H -2.389462 -0.435180 1.338930
H 1.407022 -1.468649 -1.641207
H 0.166812 0.920357 1.762997
H 3.601927 -0.301576 -1.665733
H 2.373948 2.094536 1.743433
H 4.109765 1.488587 0.024701
H -3.614734 1.554177 1.150478
H -3.591316 2.381974 -0.395413


