%chk=000067134.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067134

0 1
 O   -4.770800      -1.095600      -1.159400    
 N  -0.3839000      0.8647000       1.295200    
 N    4.476900     -0.4866000      -1.141500    
 N   0.7289000       2.548400     -0.6999000    
 C    2.699500     -0.9783000      0.4569000    
 C   0.8315000      0.5350000      0.6762000    
 C    3.251800     -0.1534000     -0.5230000    
 C    1.381900       1.360500     -0.3026000    
 C    1.488400     -0.6339000       1.057100    
 C    2.593000       1.016100     -0.9027000    
 C    3.385600      -2.234600      0.8851000    
 C   -1.447700      0.4023000      0.7196000    
 C   -2.809900      0.6553000       1.240300    
 C   -1.337300     -0.4161000     -0.5109000    
 C   -3.891000      0.1674000      0.6285000    
 C   -2.419700     -0.9030000      -1.121200    
 C   -3.777200     -0.6483000     -0.5976000    
 H    1.053900      -1.271200       1.823800    
 H    3.023600       1.659600      -1.667200    
 H    3.494000      -2.920900      3.8699999E-02
 H    2.819600      -2.763800       1.659800    
 H    4.373000      -2.010200       1.302200    
 H    4.976600      -1.327200     -0.8880000    
 H    4.861400      0.1237000      -1.850800    
 H   -2.903000       1.253400       2.140100    
 H  -0.3906000     -0.6601000     -0.9748000    
 H  -0.1458000       2.811700     -0.2660000    
 H    1.138600       3.139100      -1.411200    
 H   -4.885200      0.3578000       1.016800    
 H   -2.333100      -1.501200      -2.021400    


%chk=000067134-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067134

0 1
O -5.336553 -1.688751 0.283034
N -0.506845 1.050576 0.124939
N 4.949637 -0.202364 -0.461334
N 1.236267 2.962795 -0.508106
C 2.688913 -0.990893 0.054007
C 0.794173 0.626257 -0.042358
C 3.596033 0.074791 -0.317834
C 1.743857 1.693854 -0.350410
C 1.328705 -0.690966 0.165845
C 3.116942 1.394766 -0.502675
C 3.222991 -2.382623 0.338464
C -1.637351 0.310280 0.111254
C -2.844813 0.979675 0.585480
C -1.785485 -1.058481 -0.386334
C -4.057663 0.329887 0.665931
C -3.004229 -1.702367 -0.347942
C -4.212337 -1.066669 0.219053
H 0.652072 -1.482151 0.503674
H 3.820956 2.195600 -0.760647
H 3.709588 -2.833263 -0.551129
H 2.406446 -3.061008 0.635352
H 3.965387 -2.384627 1.162272
H 5.306446 -1.146150 -0.345435
H 5.608901 0.534115 -0.698430
H -2.726407 2.018037 0.915256
H -0.930121 -1.541915 -0.869789
H 0.233350 3.067665 -0.333726
H 1.830788 3.767847 -0.679664
H -4.953021 0.824820 1.058144
H -3.133625 -2.708138 -0.764793


