%chk=000050846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050846

0 1
 O   0.9504000      0.6106000     -0.7226000    
 N    4.309400     -0.4751000      0.3309000    
 N    5.500100      0.2841000      0.5435000    
 C  -0.3365000      0.3147000     -0.3926000    
 C   -2.059000      -1.319000      5.5700000E-02
 C   -2.570700       1.039300      0.1742000    
 C   -1.251900       1.342300     -0.1642000    
 C  -0.7401000      -1.016000     -0.2826000    
 C    1.954500     -0.3191000     -0.3184000    
 C   -2.974200     -0.2914000      0.2841000    
 C    3.257600      0.4333000     -0.1005000    
 C   -2.490400      -2.741700      0.1739000    
 C   -3.549100       2.138000      0.4185000    
 H  -0.9302000       2.377400     -0.2496000    
 H  -5.7399999E-02  -1.837900     -0.4798000    
 H    1.684400     -0.8137000      0.6244000    
 H    2.077900      -1.074100      -1.104100    
 H   -4.001700     -0.5265000      0.5517000    
 H    3.536500      0.9363000      -1.035900    
 H    3.089900       1.226600      0.6404000    
 H   -2.002700      -3.362900     -0.5851000    
 H   -2.236300      -3.130100       1.165100    
 H   -3.570700      -2.845500      2.6400000E-02
 H   -3.557400       2.404300       1.480100    
 H   -3.296500       3.030200     -0.1646000    
 H   -4.560400       1.838600      0.1231000    
 H    4.041300     -0.9303000       1.202800    
 H    5.378800      0.8852000       1.358300    
 H    6.258600     -0.3546000      0.7794000    


%chk=000050846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050846

0 1
O 0.952741 0.804215 0.149778
N 4.444842 -0.433032 0.364342
N 5.729296 0.057885 0.006121
C -0.380520 0.357763 0.124309
C -2.145218 -1.341382 0.097744
C -2.728706 1.059988 0.083021
C -1.357737 1.384930 0.105589
C -0.765308 -1.001700 0.120491
C 2.014212 -0.212795 0.168626
C -3.110743 -0.311173 0.080535
C 3.348219 0.544402 0.181658
C -2.561397 -2.803811 0.089196
C -3.785427 2.151936 0.058155
H -1.020441 2.426692 0.108713
H -0.017738 -1.801924 0.131899
H 1.907474 -0.847809 1.075434
H 1.951327 -0.861780 -0.726427
H -4.176357 -0.572343 0.063820
H 3.513664 1.043434 -0.786109
H 3.308902 1.335500 0.966446
H -2.175597 -3.325859 -0.807038
H -2.167256 -3.340211 0.973058
H -3.659785 -2.909766 0.092986
H -4.484747 2.052765 0.909642
H -3.331388 3.156305 0.108425
H -4.391005 2.101097 -0.866682
H 4.411258 -0.889323 1.290934
H 6.248906 0.606168 0.701953
H 6.282730 -0.607172 -0.534118


