%chk=000055918.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055918

0 1
 O    6.185000      8.2800001E-02  2.3499999E-02
 N   -3.476800      3.4100000E-02  2.3300000E-02
 N    2.810300       1.047500     -0.4941000    
 N    4.164100       1.019000     -0.5222000    
 N   -5.578500     -0.6967000     -0.1101000    
 C    2.900600      -1.306200      0.2191000    
 C    2.177900     -2.3300000E-02 -0.1222000    
 C    4.219200     -0.9721000      0.8763000    
 C   0.6892000     -8.6000003E-03 -8.1799999E-02
 C   -2.094500      1.9800000E-02 -1.1400000E-02
 C  -2.2200000E-02  -1.172700     -0.3592000    
 C   1.6500000E-02   1.169800      0.2306000    
 C    4.955700      6.3900001E-02  7.3500000E-02
 C   -1.416500      -1.158600     -0.3241000    
 C   -1.377900       1.184100      0.2659000    
 C   -4.276900       1.110000      0.3128000    
 C   -4.311200      -1.027100     -0.2237000    
 C   -5.564000      0.6344000      0.2237000    
 H    2.306100      -1.932100      0.8914000    
 H    3.066800      -1.855300     -0.7154000    
 H    4.837400      -1.871500      0.9629000    
 H    4.059900     -0.5634000       1.880900    
 H   0.4796000      -2.099400     -0.6226000    
 H   0.5564000       2.085500      0.4564000    
 H   -1.918200      -2.092700     -0.5526000    
 H   -1.848900       2.128600      0.5164000    
 H    4.589200       1.804000      -1.005200    
 H   -3.917900       2.100000      0.5531000    
 H   -3.980000      -2.023300     -0.4814000    
 H   -6.481000       1.182800      0.3834000    


%chk=000055918-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055918

0 1
O 6.328508 0.286803 0.175919
N -3.567769 0.042999 0.071120
N 2.797627 1.160466 -0.014037
N 4.197887 1.173684 -0.062449
N -5.709692 -0.656805 0.388092
C 2.995992 -1.319533 -0.129586
C 2.197543 -0.024912 -0.024053
C 4.373637 -1.186629 0.560947
C 0.716646 -0.020191 0.008461
C -2.138584 0.024333 0.044685
C -0.038465 -1.200196 -0.234770
C 0.002890 1.186558 0.268631
C 5.077986 0.114322 0.196196
C -1.446748 -1.179563 -0.228869
C -1.399258 1.210625 0.294568
C -4.405455 1.119867 -0.281816
C -4.414924 -1.004764 0.469152
C -5.709398 0.668632 -0.088521
H 2.444518 -2.166034 0.311668
H 3.136896 -1.556041 -1.205251
H 5.039666 -2.025409 0.303143
H 4.251802 -1.194488 1.662537
H 0.464832 -2.144788 -0.463603
H 0.576697 2.097041 0.462224
H -2.005614 -2.091133 -0.463247
H -1.924192 2.140437 0.536343
H 4.598014 2.104785 -0.197617
H -4.012379 2.055025 -0.669874
H -4.038961 -1.953515 0.842835
H -6.640302 1.201723 -0.265628


