%chk=000079829.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079829

0 1
 O    3.299800      0.6910000     -0.8983000    
 N   0.7284000      6.5700002E-02 -0.6662000    
 N    2.752200     -0.1806000      6.8800002E-02
 N    1.423600     -0.1960000      0.3405000    
 C  -0.6286000      3.9700001E-02 -0.3301000    
 C   -1.260100       1.202300      0.1117000    
 C   -1.350700      -1.148800     -0.4367000    
 C   -2.613800       1.176300      0.4471000    
 C   -2.704500      -1.174800     -0.1015000    
 C   -3.336000     -1.2200000E-02  0.3404000    
 C    3.689800     -0.4626000       1.124400    
 H  -0.7063000       2.133600      0.1973000    
 H  -0.8680000      -2.059800     -0.7807000    
 H   -3.105600       2.081600      0.7909000    
 H   -3.267000      -2.100100     -0.1847000    
 H   -4.390100     -3.2400001E-02  0.6013000    
 H    3.848700      0.4446000       1.713800    
 H    4.637700     -0.7873000      0.6864000    
 H    3.294800      -1.257100       1.763400    
 H    3.531200      4.7100000E-02  -1.589000    


%chk=000079829-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079829

0 1
O 3.127419 1.198106 -0.150442
N 0.815895 0.452003 -0.020025
N 2.894041 -0.198268 0.106631
N 1.607920 -0.585218 0.257492
C -0.581311 0.206939 -0.001578
C -1.418228 1.327898 -0.250113
C -1.168568 -1.066926 0.245724
C -2.820659 1.180977 -0.248195
C -2.570654 -1.201773 0.244016
C -3.405581 -0.083401 -0.001194
C 4.002324 -0.925764 0.711003
H -0.952788 2.300946 -0.440692
H -0.521128 -1.928960 0.432863
H -3.456748 2.052167 -0.440391
H -3.018302 -2.184205 0.433478
H -4.494957 -0.197687 -0.001301
H 4.242643 -0.524520 1.713489
H 4.887369 -0.835544 0.061870
H 3.701003 -1.981208 0.791481
H 2.105812 1.464638 -0.245314


