%chk=000019471.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019471

0 1
 O  -0.5279000      -1.060300       1.082700    
 N   -1.596300      0.4644000     -0.3216000    
 N   0.6972000      0.4221000     -0.2196000    
 C   -2.851500      0.5724000      0.3624000    
 C   -2.704800     -0.2919000     -0.8260000    
 C  -0.4815000     -0.1462000      0.2601000    
 C    2.010500     -5.7000001E-03  0.2022000    
 C    2.963300       1.181500      0.1582000    
 C    2.490900      -1.136300     -0.6984000    
 H   -3.314500       1.542100      0.2534000    
 H   -2.890600      0.1197000       1.342500    
 H   -2.632100      -1.361900     -0.6950000    
 H   -3.062800      6.1799999E-02  -1.781500    
 H    1.944600     -0.3753000       1.232000    
 H   0.6212000       1.120600     -0.9533000    
 H    3.963700      0.8912000      0.4956000    
 H    3.050900       1.588500     -0.8555000    
 H    2.608300       1.989200      0.8079000    
 H    1.808200      -1.991900     -0.6522000    
 H    3.484500      -1.481600     -0.3943000    
 H    2.546600     -0.8166000      -1.745100    


%chk=000019471-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019471

0 1
O -0.552850 -1.097615 0.920113
N -1.608672 0.615748 -0.457074
N 0.704404 0.509295 -0.226737
C -2.882139 0.550055 0.384773
C -2.760746 -0.316601 -0.842340
C -0.466342 -0.091446 0.153323
C 2.035909 0.021693 0.198741
C 3.040502 1.189822 0.156856
C 2.490140 -1.176696 -0.668152
H -3.475098 1.468578 0.357049
H -2.797972 0.045971 1.354182
H -2.597960 -1.387346 -0.674677
H -3.263318 -0.035632 -1.772183
H 1.918925 -0.332583 1.240315
H 0.622388 1.308929 -0.858494
H 4.031892 0.850857 0.504112
H 3.161524 1.573025 -0.875116
H 2.713112 2.022910 0.804188
H 1.743493 -1.987462 -0.616466
H 3.456112 -1.571637 -0.303410
H 2.614597 -0.874062 -1.724506


