%chk=000039005.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039005

0 1
 O   -4.514000       2.373900      2.3000001E-03
 N   0.2607000     -0.2738000     -0.4848000    
 N    3.750400      0.9781000     -1.9700000E-02
 C    1.598600      0.1539000     -0.8422000    
 C  -0.8322000      0.5576000     -0.4160000    
 C  -8.6900003E-02  -1.565700     -0.1679000    
 C    2.406300      0.5807000      0.3800000    
 C   -1.924000     -0.2258000     -4.1400000E-02
 C   -1.453000      -1.568100      0.1154000    
 C    4.445000     -0.1342000     -0.6711000    
 C    4.515900       1.445800       1.137500    
 C  -0.9338000       1.932800     -0.6556000    
 C   0.6998000      -2.721900     -0.1117000    
 C   -3.182500      0.3956000      0.1016000    
 C   -2.065500      -2.787500      0.4733000    
 C   -3.299800       1.769900     -0.1344000    
 C   -2.190700       2.525300     -0.5074000    
 C   7.0400000E-02  -3.917400      0.2452000    
 C   -1.291700      -3.952100      0.5338000    
 C    5.823300      0.2859000      -1.152600    
 C    3.813200       2.601200       1.830000    
 C   -5.609400       1.545800      0.3862000    
 H    2.026800     -0.6892000      -1.388200    
 H    1.515600      0.9725000      -1.566900    
 H    1.859300       1.413300      0.8348000    
 H    2.433300     -0.2284000       1.122300    
 H    3.933000     -0.4504000      -1.582700    
 H    4.528300      -1.009400     -1.4700000E-02
 H    5.488600       1.837500      0.8229000    
 H    4.699600      0.6408000       1.860100    
 H  -7.6899998E-02   2.533000     -0.9418000    
 H    1.762600      -2.707700     -0.3283000    
 H   -4.009500     -0.2403000      0.3934000    
 H   -3.126800      -2.830800      0.7014000    
 H   -2.296300       3.592700     -0.6866000    
 H   0.6539000      -4.832800      0.2995000    
 H   -1.760300      -4.893000      0.8096000    
 H    5.790000       1.229400      -1.708400    
 H    6.542200      0.3805000     -0.3329000    
 H    6.224300     -0.4769000      -1.829900    
 H    3.480800       3.363500       1.116900    
 H    2.958100       2.273600       2.429400    
 H    4.508100       3.087700       2.524100    
 H   -5.459800       1.114800       1.382100    
 H   -5.822800      0.7826000     -0.3699000    
 H   -6.493800       2.188500      0.4476000    


%chk=000039005-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039005

0 1
O -4.453725 2.451312 0.473996
N 0.293677 -0.366013 -0.528106
N 3.843170 0.822802 0.172006
C 1.661146 0.086555 -0.799378
C -0.811691 0.479604 -0.292133
C -0.125393 -1.699028 -0.372888
C 2.468262 0.374476 0.494539
C -1.964367 -0.323184 -0.001715
C -1.530678 -1.713036 -0.052951
C 4.785838 -0.313265 -0.021182
C 4.360926 1.867049 1.097092
C -0.887658 1.890530 -0.320692
C 0.617723 -2.894220 -0.496225
C -3.213407 0.292144 0.262175
C -2.188187 -2.950479 0.139866
C -3.283232 1.702169 0.230659
C -2.131086 2.491986 -0.058107
C -0.062979 -4.115157 -0.300675
C -1.451464 -4.147138 0.014147
C 5.967798 0.031884 -0.947056
C 3.719845 3.247454 0.858304
C -5.672147 1.703528 0.776548
H 2.176191 -0.680653 -1.404988
H 1.632030 1.005802 -1.410273
H 1.946789 1.168347 1.058176
H 2.459182 -0.533994 1.143419
H 4.218701 -1.148294 -0.474859
H 5.169463 -0.693613 0.959494
H 5.449907 1.953746 0.929913
H 4.227925 1.567104 2.167254
H -0.013383 2.512110 -0.540730
H 1.686846 -2.886155 -0.733882
H -4.092257 -0.320646 0.482441
H -3.256207 -2.982143 0.384076
H -2.245270 3.580167 -0.068094
H 0.489278 -5.057550 -0.391062
H -1.947737 -5.112579 0.160789
H 5.594923 0.356338 -1.934089
H 6.590501 0.846093 -0.534936
H 6.620713 -0.850188 -1.084795
H 3.903096 3.576812 -0.179289
H 2.626875 3.228406 1.023748
H 4.146969 3.997006 1.550345
H -5.558237 1.099258 1.698810
H -5.959563 1.040256 -0.063711
H -6.450706 2.465894 0.928320


