%chk=000028443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028443

0 1
 O   -2.835600      -2.230800      2.8400000E-02
 N  -0.4512000       2.704700      0.1469000    
 N    4.924600      -1.470400      0.9561000    
 C   0.8871000       1.044500     -0.4688000    
 C    2.083200      0.2966000     -0.9054000    
 C  -0.4018000      0.5023000     -0.2050000    
 C    2.932000     -0.2150000      0.2766000    
 C   -1.222600       1.564900      0.1790000    
 C   0.8252000       2.400300     -0.2435000    
 C  -0.9508000     -0.7944000     -0.2566000    
 C    4.140600      -1.024900     -0.1898000    
 C   -2.570300       1.394900      0.5153000    
 C   -2.297300     -0.9795000      7.7200003E-02
 C   -3.092800      9.9699996E-02  0.4569000    
 C   -1.970300      -3.292800     -0.3674000    
 H    2.706500      0.9376000      -1.542300    
 H    1.784900     -0.5526000      -1.532800    
 H    3.267800      0.6401000      0.8784000    
 H    2.305200     -0.8331000      0.9332000    
 H    1.573400       3.176600     -0.3249000    
 H  -0.7804000       3.631800      0.3782000    
 H  -0.2878000      -1.596600     -0.5565000    
 H    3.811700      -1.895900     -0.7670000    
 H    4.774300     -0.4129000     -0.8403000    
 H   -3.190400       2.234500      0.8110000    
 H   -4.137600     -6.0199998E-02  0.7130000    
 H    5.696300      -2.051700      0.6319000    
 H    4.351400      -2.064100       1.554400    
 H   -2.561800      -4.214200     -0.3507000    
 H   -1.148300      -3.429800      0.3435000    
 H   -1.614600      -3.161800      -1.395100    


%chk=000028443-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028443

0 1
O -2.788828 -2.269830 0.122811
N -0.533574 2.843573 0.087464
N 4.767547 -1.740365 0.943599
C 0.928369 1.185444 -0.516631
C 2.186362 0.459491 -0.927969
C -0.361507 0.585271 -0.215521
C 2.887882 -0.274132 0.249043
C -1.256684 1.645467 0.159673
C 0.778156 2.560518 -0.321952
C -0.835874 -0.757287 -0.241522
C 4.117752 -1.083904 -0.208034
C -2.603349 1.398692 0.511699
C -2.180392 -0.995511 0.107500
C -3.056141 0.069844 0.483771
C -1.959135 -3.407080 -0.263333
H 2.902937 1.174503 -1.378332
H 1.949221 -0.282313 -1.719426
H 3.206039 0.457738 1.014043
H 2.160656 -0.950836 0.743528
H 1.512037 3.355483 -0.445089
H -0.903325 3.769437 0.287785
H -0.164893 -1.571329 -0.531844
H 3.796872 -1.792016 -1.014593
H 4.852875 -0.394361 -0.668045
H -3.283591 2.208375 0.798157
H -4.087954 -0.182720 0.745741
H 5.672314 -2.173955 0.737882
H 4.148864 -2.368902 1.465873
H -2.616819 -4.286298 -0.190009
H -1.095724 -3.530682 0.421124
H -1.589491 -3.304516 -1.303491


