%chk=000019744.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019744

2 1
 N   -5.648300     -1.8700000E-02 -6.1799999E-02
 N    5.645100     -2.5800001E-02 -5.8699999E-02
 C   -4.401000      0.7808000     -3.0099999E-02
 C    4.383000     -0.8020000      2.5100000E-02
 C   -3.183600     -0.1262000      0.1002000    
 C    3.209000      0.1656000      7.6300003E-02
 C   -1.854200      0.6338000      8.8200003E-02
 C    1.851000     -0.5405000      0.1142000    
 C  -0.6656000     -0.3289000      0.1442000    
 C   0.6648000      0.4259000      9.1300003E-02
 C   -5.651800     -0.9804000      -1.259100    
 C   -5.795700     -0.8534000       1.218700    
 C   -6.879300      0.8918000     -0.1801000    
 C    5.789500      0.9122000       1.147700    
 C    6.860700     -0.9628000     -8.2699999E-02
 C    5.676200      0.8287000      -1.333400    
 H   -4.350400       1.370600     -0.9534000    
 H   -4.459400       1.475000      0.8169000    
 H    4.321500      -1.456900     -0.8520000    
 H    4.418800      -1.426300      0.9258000    
 H   -3.215000     -0.6960000       1.034500    
 H   -3.140300     -0.8475000     -0.7214000    
 H    3.250500      0.8015000      0.9661000    
 H    3.188300      0.8223000     -0.7979000    
 H   -1.816500       1.322200      0.9410000    
 H   -1.790900       1.241800     -0.8224000    
 H    1.776600      -1.219600     -0.7445000    
 H    1.796700      -1.163300       1.015800    
 H  -0.7158000     -0.9235000       1.064400    
 H  -0.7205000      -1.029800     -0.6977000    
 H   0.7330000       1.112000      0.9441000    
 H   0.7075000       1.035500     -0.8193000    
 H   -5.400600     -0.4125000      -2.159500    
 H   -4.942400      -1.793200      -1.087400    
 H   -6.656800      -1.405100      -1.350000    
 H   -5.064500      -1.665200       1.219700    
 H   -5.660500     -0.1920000       2.079300    
 H   -6.802000      -1.284600       1.228700    
 H   -6.892500       1.558900      0.6867000    
 H   -6.788800       1.465900      -1.106800    
 H   -7.778500      0.2691000     -0.1995000    
 H    6.810800       1.306800       1.148900    
 H    5.093400       1.749700       1.058400    
 H    5.609800      0.3346000       2.059100    
 H    6.853000      -1.552200      0.8388000    
 H    6.769700      -1.613800     -0.9571000    
 H    7.771000     -0.3595000     -0.1453000    
 H    6.693900       1.212800      -1.458300    
 H    5.408700      0.1940000      -2.183100    
 H    4.995400       1.677400      -1.235800    


%chk=000019744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019744

2 1
N -5.848711 -0.072229 -0.005125
N 5.848910 0.067051 -0.007496
C -4.446059 0.602046 -0.032037
C 4.445461 -0.605066 0.026812
C -3.233557 -0.344186 0.000698
C 3.234192 0.342618 -0.007892
C -1.918748 0.484960 -0.018991
C 1.918671 -0.485390 0.013104
C -0.656104 -0.410480 0.005274
C 0.656410 0.410640 -0.010117
C -6.037102 -0.986334 -1.214602
C -6.041299 -0.876877 1.279345
C -6.904390 1.036619 -0.055174
C 6.038632 0.993761 1.192079
C 6.903139 -1.042617 0.053676
C 6.041712 0.858029 -1.300473
H -4.431217 1.216709 -0.950243
H -4.428671 1.282822 0.838188
H 4.424875 -1.290483 -0.839685
H 4.432143 -1.214767 0.948352
H -3.241452 -0.970149 0.912794
H -3.235760 -1.022544 -0.873113
H 3.237268 1.022599 0.864620
H 3.242755 0.966809 -0.921232
H -1.899019 1.169085 0.853409
H -1.896607 1.123776 -0.925101
H 1.897723 -1.169334 -0.859421
H 1.896837 -1.124387 0.919098
H -0.676661 -1.052735 0.909255
H -0.671902 -1.093565 -0.868335
H 0.672666 1.093270 0.863803
H 0.676817 1.053289 -0.913836
H -5.862135 -0.407437 -2.134366
H -5.329588 -1.824988 -1.156854
H -7.067440 -1.373856 -1.209906
H -5.334086 -1.717651 1.299179
H -5.869388 -0.219243 2.145187
H -7.071728 -1.263331 1.305399
H -6.778243 1.695280 0.817481
H -6.776111 1.615118 -0.982590
H -7.906751 0.582297 -0.036183
H 7.070152 1.378057 1.184378
H 5.333685 1.833780 1.123871
H 5.860687 0.425741 2.118005
H 6.776812 -1.609122 0.988758
H 6.773565 -1.712451 -0.809973
H 7.906127 -0.590152 0.025928
H 7.071601 1.245687 -1.329768
H 5.871520 0.190930 -2.159357
H 5.333365 1.697600 -1.330025


