%chk=000063485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063485

0 1
 O  -0.7563000     -0.2658000       2.239800    
 N  -0.2506000     -0.7433000     -1.0900000E-02
 N    2.137000     -0.2213000      0.3366000    
 N   -1.985600     -0.6010000      -1.632700    
 N    3.315300     -0.7775000      0.6663000    
 C    1.101600      -1.105800      0.3143000    
 C  -0.7464000     -0.8179000      -1.314800    
 C   -1.082300     -0.3463000       1.057700    
 C   -2.488900     -6.8200000E-02  0.6989000    
 C   0.1891000      -1.109600      -2.470300    
 C    1.633900      -2.323600      0.6508000    
 C   -2.885800     -0.2318000     -0.6282000    
 C    3.001600      -2.061700      0.8571000    
 C    2.072800       1.144900      5.8300000E-02
 C   -3.409900      0.3263000       1.676700    
 C   0.2300000      -2.594100      -2.733400    
 C   -4.222300      5.5000000E-03 -0.9699000    
 C    4.050300      -3.021000       1.242400    
 C   0.9038000       1.843800      0.3281000    
 C    3.178300       1.785900     -0.4842000    
 C   -4.738000      0.5601000       1.322900    
 C   -5.144900      0.3988000      6.9999998E-04
 C   0.8393000       3.209100      5.0400000E-02
 C    3.113800       3.151300     -0.7620000    
 C    1.944300       3.863000     -0.4947000    
 H  -0.1797000     -0.5906000      -3.362900    
 H    1.195400     -0.7313000      -2.277000    
 H    1.108500      -3.263900      0.7367000    
 H   -3.113900      0.4542000       2.714100    
 H   0.8923000      -2.812400      -3.577100    
 H  -0.7661000      -2.977500      -2.980300    
 H   0.5898000      -3.157600      -1.868900    
 H   -4.552900     -0.1116000      -1.999200    
 H    4.505900      -2.733900       2.195700    
 H    3.644000      -4.031300       1.355800    
 H    4.837500      -3.059800      0.4824000    
 H   5.7999998E-02   1.486400      0.8691000    
 H    4.099300       1.256800     -0.7142000    
 H   -5.455500      0.8664000       2.078600    
 H   -6.179200      0.5808000     -0.2758000    
 H  -5.9599999E-02   3.771700      0.2868000    
 H    3.973600       3.660500      -1.187400    
 H    1.896400       4.927400     -0.7046000    


%chk=000063485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063485

0 1
O -0.756919 -0.256209 2.315483
N -0.306280 -0.705929 0.051195
N 2.103427 -0.132377 0.356425
N -2.004216 -0.546205 -1.653917
N 3.317220 -0.771213 0.633482
C 1.042740 -1.041562 0.393329
C -0.749830 -0.770780 -1.301413
C -1.199037 -0.361474 1.135820
C -2.594695 -0.146415 0.724296
C 0.245121 -1.144271 -2.381882
C 1.579607 -2.287885 0.727416
C -2.950816 -0.245057 -0.658606
C 2.988006 -2.078511 0.870678
C 2.101707 1.269048 0.045187
C -3.579365 0.168525 1.697663
C 0.219450 -2.664372 -2.697382
C -4.302637 -0.026751 -1.042694
C 4.056909 -3.068403 1.238495
C 1.093477 2.116858 0.561073
C 3.144623 1.788759 -0.758642
C -4.910598 0.379422 1.303937
C -5.269347 0.280441 -0.070974
C 1.112493 3.489437 0.231253
C 3.158761 3.164669 -1.068430
C 2.137997 4.017820 -0.585904
H -0.052725 -0.585093 -3.284733
H 1.267007 -0.833097 -2.107849
H 1.025544 -3.213132 0.867677
H -3.269334 0.238088 2.745421
H 0.895161 -2.885250 -3.542569
H -0.800834 -2.980819 -2.974850
H 0.552184 -3.260330 -1.829945
H -4.555089 -0.105430 -2.104259
H 3.891961 -3.476048 2.252562
H 4.076885 -3.922228 0.536790
H 5.044065 -2.578228 1.220628
H 0.342726 1.721941 1.250693
H 3.930957 1.116153 -1.112191
H -5.673675 0.620271 2.051333
H -6.309243 0.446748 -0.373133
H 0.334554 4.148310 0.631779
H 3.965923 3.569932 -1.688265
H 2.150031 5.084745 -0.833275


