%chk=000080445.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080445

0 1
 O   4.8000002E-03   1.290700     -3.9999999E-04
 N   -1.154200     -0.7444000       0.000000    
 N    1.151400     -0.7475000      5.0000002E-04
 N   -2.772900      0.9798000       0.000000    
 N    2.768300      0.9783000      3.9999999E-04
 C   -2.495200     -0.3433000     -5.0000002E-04
 C    2.506500     -0.3407000      6.9999998E-04
 C   5.2999998E-03  6.3900001E-02   0.000000    
 C   -3.459500      -1.338300     -3.9999999E-04
 C    3.457200      -1.339100      3.0000001E-04
 C   -4.794700     -0.9504000     -1.9999999E-04
 C    4.792000     -0.9498000     -1.9999999E-04
 C   -5.120200      0.4015000      3.0000001E-04
 C    5.116200      0.4023000     -5.0000002E-04
 C   -4.081700       1.318600      5.0000002E-04
 C    4.076700       1.318500     -3.0000001E-04
 H  -0.9956000      -1.749000      9.9999997E-05
 H   0.9942000      -1.752300      5.0000002E-04
 H   -3.200900      -2.392200     -6.0000003E-04
 H    3.196800      -2.392100      3.9999999E-04
 H   -5.580300      -1.699900     -1.9999999E-04
 H    5.578300      -1.698600     -5.0000002E-04
 H   -6.154200      0.7268000      5.0000002E-04
 H    6.149900      0.7287000     -1.0000000E-03
 H   -4.282300       2.384900      8.9999998E-04
 H    4.276300       2.385000     -6.0000003E-04


%chk=000080445-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080445

0 1
O -0.000592 1.400121 -0.000770
N -1.161795 -0.678371 0.000142
N 1.160087 -0.677881 0.000011
N -2.868119 1.010124 0.000366
N 2.866646 1.010486 -0.000057
C -2.526232 -0.306722 0.000156
C 2.525206 -0.305915 -0.000095
C -0.000026 0.157601 -0.000241
C -3.495484 -1.355615 -0.000014
C 3.493860 -1.355159 -0.000164
C -4.859359 -1.011561 0.000044
C 4.857814 -1.011082 -0.000222
C -5.230314 0.355681 0.000221
C 5.228621 0.356193 -0.000209
C -4.196374 1.317337 0.000369
C 4.195002 1.318074 -0.000118
H -1.016692 -1.690147 0.000310
H 1.015965 -1.689754 0.000261
H -3.186897 -2.408540 -0.000196
H 3.185501 -2.408092 -0.000178
H -5.621345 -1.798094 -0.000079
H 5.619978 -1.797410 -0.000275
H -6.279525 0.664840 0.000252
H 6.277925 0.665155 -0.000254
H -4.424550 2.389710 0.000508
H 4.422899 2.390421 -0.000068


