%chk=000040886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040886

0 1
 N   -1.314500     -0.7649000      -1.913200    
 N    2.011300       1.203600     -0.2047000    
 N    3.572400      -2.090700      0.6365000    
 C    2.542700      -1.208200      7.3799998E-02
 C    1.149300      -1.586900      0.6532000    
 C   1.9999999E-04  -1.153900     -0.1675000    
 C    2.945400      0.2454000      0.3797000    
 C   -1.189600     -0.5300000      0.3018000    
 C   -1.997400     -0.2966000     -0.8133000    
 C  -0.1064000      -1.284700      -1.533000    
 C   -1.658300     -0.1402000       1.572200    
 C    2.442100       2.569600      5.3199999E-02
 C   -3.255400      0.3094000     -0.7211000    
 C   -2.914700      0.4671000       1.679600    
 C   -3.699300      0.6875000      0.5493000    
 C    1.472200       3.573500     -0.5465000    
 H    2.560300      -1.364700      -1.010800    
 H    1.069400      -1.210400       1.680500    
 H    1.084500      -2.681800      0.7310000    
 H    2.989400      0.3931000       1.466800    
 H    3.952300      0.4299000     -1.7800000E-02
 H   0.5606000      -1.704300      -2.273100    
 H   -1.656800     -0.7305000      -2.863500    
 H    1.943800       1.048300      -1.210200    
 H    3.612500      -1.971300       1.648100    
 H    4.489500      -1.821400      0.2823000    
 H   -1.061500     -0.3036000       2.464900    
 H    2.502900       2.748300       1.133100    
 H    3.437300       2.745000     -0.3721000    
 H   -3.866800      0.4814000      -1.600500    
 H   -3.281300      0.7700000       2.656800    
 H   -4.672100       1.160900      0.6557000    
 H    1.405200       3.458600      -1.633700    
 H   0.4679000       3.451100     -0.1270000    
 H    1.804800       4.594700     -0.3347000    


%chk=000040886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040886

0 1
N -1.581189 -2.262879 -1.810017
N 2.823794 1.822561 0.491044
N 2.642757 -1.918261 -0.286701
C 2.176983 -0.511210 -0.186827
C 0.785165 -0.450034 0.483305
C -0.355163 -1.015235 -0.331450
C 3.192745 0.395573 0.569042
C -1.746293 -0.595354 -0.259305
C -2.493085 -1.394930 -1.199222
C -0.297679 -2.034736 -1.282887
C -2.436633 0.383521 0.504931
C 3.679676 2.739904 1.274821
C -3.884968 -1.243016 -1.384944
C -3.824945 0.540806 0.323689
C -4.542389 -0.264234 -0.610920
C 3.227666 4.199735 1.098276
H 2.076464 -0.125536 -1.223973
H 0.590491 0.613964 0.716300
H 0.853531 -0.967939 1.467205
H 3.210084 0.101668 1.639506
H 4.217884 0.185575 0.162929
H 0.577543 -2.599763 -1.597346
H -1.808295 -2.952335 -2.522366
H 2.736619 2.136410 -0.486919
H 2.564795 -2.423443 0.605155
H 3.587383 -2.007785 -0.681399
H -1.898282 1.008387 1.227068
H 3.597474 2.451600 2.341649
H 4.763439 2.651253 1.005200
H -4.440548 -1.858803 -2.101775
H -4.368064 1.292460 0.907858
H -5.622376 -0.119347 -0.728597
H 3.316889 4.519662 0.042040
H 2.172380 4.314603 1.401761
H 3.848049 4.880459 1.708667


