%chk=000020870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020870

0 1
 O   -4.452000       1.113700      0.5655000    
 N   -4.462000      -1.106900     -0.1017000    
 N    1.732400      0.3742000     -0.7417000    
 N    3.867200      0.6461000     -5.2999999E-02
 N    2.160200      0.8115000       1.582000    
 N    5.880400     -0.5031000     -0.3097000    
 N    4.056800      -1.720400      0.3294000    
 C   -2.397000      0.1803000     -7.0000000E-02
 C   0.3474000      0.3096000     -0.5157000    
 C   -1.797300       1.401400     -0.3778000    
 C   -1.621400     -0.9761000      1.4500000E-02
 C  -0.4220000       1.466100     -0.6013000    
 C  -0.2461000     -0.9111000     -0.2087000    
 C   -3.830700      0.1134000      0.1651000    
 C    2.525400      0.6001000      0.2689000    
 C   -5.881800      -1.324000      5.9500001E-02
 C    4.540500     -0.4749000     -5.4000001E-03
 H   -2.384100       2.313200     -0.4526000    
 H   -2.042300      -1.940900      0.2818000    
 H   3.7099998E-02   2.421200     -0.8423000    
 H   0.3524000      -1.815300     -0.1347000    
 H   -3.936500      -1.871800     -0.5110000    
 H   -6.280400     -0.6824000      0.8493000    
 H   -6.045900      -2.374300      0.3106000    
 H   -6.374500      -1.089500     -0.8873000    
 H    2.862000      0.9871000       2.293000    
 H    1.192500      0.7987000       1.884300    
 H    6.375200      0.3413000     -0.5757000    
 H    6.413600      -1.365200     -0.2764000    
 H    3.085100      -1.869400      0.5786000    
 H    4.662800      -2.533800      0.3360000    


%chk=000020870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020870

0 1
O -4.473637 1.197393 -0.004779
N -4.643548 -1.115989 -0.192945
N 1.857218 -0.351597 0.191153
N 4.086539 0.467281 0.607233
N 2.308465 1.602095 1.536557
N 6.045664 -0.478368 -0.192743
N 3.978084 -1.519179 -0.735978
C -2.414809 -0.093479 0.030428
C 0.455566 -0.210971 0.177606
C -1.624497 1.064382 -0.190419
C -1.746896 -1.313829 0.325987
C -0.221565 1.014110 -0.125120
C -0.343716 -1.373108 0.394507
C -3.907349 0.056187 -0.051246
C 2.705907 0.540976 0.738470
C -6.107396 -1.109247 -0.261092
C 4.665845 -0.515366 -0.109749
H -2.145094 2.000907 -0.417722
H -2.313914 -2.227399 0.547391
H 0.364302 1.912560 -0.350485
H 0.165349 -2.312625 0.634241
H -4.150928 -1.998906 -0.322762
H -6.435049 -0.066003 -0.125234
H -6.550942 -1.734697 0.536398
H -6.470851 -1.469672 -1.242246
H 3.038997 2.173695 1.952637
H 1.331770 1.746333 1.780060
H 6.514605 0.284177 0.289123
H 6.584946 -1.169799 -0.704789
H 2.930754 -1.426452 -0.588432
H 4.433179 -2.254607 -1.272549


