%chk=000042796.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042796

0 1
 O   0.9965000       2.135500     -0.1208000    
 N    3.255300      -1.014000     -0.4532000    
 N   0.4467000      0.1209000      0.6889000    
 N  -0.3601000       1.953300     -0.4177000    
 C    3.688300      0.3449000     -0.1296000    
 C    2.799600      0.9600000      0.9522000    
 C    1.356200       1.012200      0.5190000    
 C    3.365000      -1.878600      0.7211000    
 C    4.045300      -1.552300      -1.559800    
 C  -0.6104000      0.7434000      9.1600001E-02
 C   -1.904300      0.1281000      2.0700000E-02
 C   -2.962600      0.7950000     -0.5985000    
 C   -2.107300      -1.138600      0.5705000    
 C   -4.220700      0.1966000     -0.6677000    
 C   -3.365300      -1.737000      0.5012000    
 C   -4.422100      -1.069400     -0.1179000    
 H    4.734200      0.3636000      0.2035000    
 H    3.625800      0.9718000      -1.029000    
 H    3.143300       1.985300       1.141900    
 H    2.882300      0.4427000       1.913400    
 H    3.151300      -2.918900      0.4466000    
 H    2.627100      -1.633000       1.490200    
 H    4.366200      -1.852700       1.166700    
 H    3.690300      -2.551300      -1.836900    
 H    5.111000      -1.620700      -1.313000    
 H    3.937000     -0.9252000      -2.451900    
 H   -2.843800       1.782100      -1.038200    
 H   -1.304100      -1.684700       1.059200    
 H   -5.043900      0.7160000      -1.149700    
 H   -3.522500      -2.722800      0.9291000    
 H   -5.401600      -1.535400     -0.1719000    


%chk=000042796-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042796

0 1
O 1.176963 1.742024 -0.509069
N 3.477801 -0.905867 -0.525083
N 0.344295 0.178062 0.911782
N -0.231373 1.544627 -0.885655
C 3.853877 0.365718 0.123200
C 2.796671 0.844264 1.153495
C 1.421417 0.873550 0.570716
C 3.417024 -2.055236 0.399656
C 4.295824 -1.185313 -1.722047
C -0.651355 0.605453 0.001354
C -2.023325 0.077812 0.016690
C -2.990364 0.530332 -0.921449
C -2.382238 -0.897565 0.983898
C -4.299396 0.010064 -0.888210
C -3.694889 -1.413838 1.011411
C -4.656634 -0.962757 0.077145
H 4.842829 0.306686 0.649421
H 3.947146 1.131793 -0.668172
H 3.081502 1.855415 1.499987
H 2.768055 0.186572 2.037176
H 3.112195 -2.955965 -0.161219
H 2.655869 -1.882801 1.179454
H 4.396340 -2.271843 0.898573
H 3.907229 -2.084373 -2.232179
H 5.378055 -1.360266 -1.493353
H 4.225806 -0.337606 -2.426574
H -2.706348 1.282142 -1.665166
H -1.624396 -1.233929 1.698063
H -5.042246 0.360573 -1.613048
H -3.967903 -2.166185 1.759423
H -5.675733 -1.364745 0.099779


