%chk=000158568.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158568

0 1
 O  -0.2390000       2.852600      7.9999998E-04
 O   -3.601200      -2.538000      1.9999999E-04
 N   0.6585000      0.1941000      3.5000001E-03
 N    1.067300      -1.077200      3.8999999E-03
 N    1.565900       1.173800      7.9999998E-04
 C  -0.7015000      0.4959000      2.9000000E-03
 C    2.404000     -0.9453000      1.3000000E-03
 C    2.721900      0.4900000     -6.0000003E-04
 C   -1.623400     -0.5456000      2.7999999E-03
 C   -2.988800     -0.2601000      6.0000003E-04
 C   -1.128800       1.819200      7.9999998E-04
 C   -3.424100       1.065100     -1.4000000E-03
 C   -2.494200       2.104700     -1.3000000E-03
 C    3.404400      -1.935100      6.0000003E-04
 C    4.046800      0.9645000     -3.1000001E-03
 C   -3.959300      -1.343300     -1.1000000E-03
 C    4.718700      -1.432500     -2.0000001E-03
 C    5.025900     -4.5699999E-02 -3.8000001E-03
 C   -5.453000      -1.037000     -4.9999999E-03
 H   -1.305200      -1.584900      3.8999999E-03
 H   -4.476300       1.331800     -3.3000000E-03
 H   -2.847500       3.132500     -3.1000001E-03
 H    3.191900      -2.996500      2.0000001E-03
 H    4.302300       2.016500     -4.4000000E-03
 H    5.544800      -2.142400     -2.7000001E-03
 H    6.074600      0.2489000     -5.7999999E-03
 H   -5.723300     -0.4840000     -0.9082000    
 H   -5.727800     -0.4828000      0.8962000    
 H   -6.011300      -1.978700     -5.7000001E-03
 H  -0.7277000       3.693400     -8.9999998E-04


%chk=000158568-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158568

0 1
O -0.338684 3.052678 -0.000149
O -3.481433 -2.585255 -0.002022
N 0.670234 0.312037 -0.000892
N 1.063369 -1.020739 -0.000061
N 1.680751 1.256994 -0.001578
C -0.726010 0.635234 -0.001073
C 2.438678 -0.924975 -0.000236
C 2.818549 0.472385 -0.001165
C -1.645102 -0.434620 -0.001497
C -3.042967 -0.216812 -0.001692
C -1.219798 1.976800 -0.000746
C -3.527063 1.118296 -0.001436
C -2.623536 2.190130 -0.000980
C 3.423567 -1.953650 0.000338
C 4.187865 0.862728 -0.001550
C -3.953276 -1.410676 -0.002088
C 4.763318 -1.551768 -0.000027
C 5.141434 -0.160482 -0.000962
C -5.462014 -1.180089 -0.002057
H -1.267172 -1.460333 -0.001673
H -4.601759 1.322468 -0.001613
H -2.996776 3.222815 -0.000774
H 3.135049 -3.008564 0.001034
H 4.470813 1.919212 -0.002266
H 5.553149 -2.310763 0.000399
H 6.206680 0.094613 -0.001214
H -5.778060 -0.607368 -0.893984
H -5.778080 -0.607484 0.889935
H -5.971634 -2.155241 -0.002129
H -0.845492 3.906329 0.000062


