%chk=000050570.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050570

0 1
 O    3.470500       1.362300       1.273800    
 N   0.4617000     -0.3973000     -0.1563000    
 N    2.775000     -0.7531000     -0.3360000    
 N    2.912900      0.5114000     -0.8160000    
 N    1.378700      -2.599800      7.1599998E-02
 N   0.1477000      -3.115100      0.2703000    
 C   -1.862400     -2.7700000E-02  2.6000001E-02
 C  -0.7435000     -0.9449000      4.4500001E-02
 C   -3.117400     -0.4672000     -0.3953000    
 C   -1.686300       1.295900      0.4297000    
 C    1.478800      -1.271400     -0.1316000    
 C   -4.196300      0.4167000     -0.4131000    
 C   -2.765400       2.179700      0.4121000    
 C  -0.9116000      -2.285700      0.2563000    
 C   -4.020300       1.740100     -9.3999999E-03
 C    3.265300       1.507700      7.0799999E-02
 C    3.412700       2.848300     -0.5974000    
 H   -3.292300      -1.483100     -0.7396000    
 H  -0.7237000       1.667400      0.7728000    
 H   -5.172500      7.6399997E-02 -0.7461000    
 H   -2.629300       3.209800      0.7282000    
 H   -1.863100      -2.765600      0.4449000    
 H   -4.860100       2.428600     -2.3900000E-02
 H    3.565900      -1.381000     -0.3869000    
 H    2.768600      0.6377000      -1.811800    
 H    2.751300       2.932500      -1.464500    
 H    4.449100       2.975800     -0.9209000    
 H    3.152200       3.638200      0.1127000    


%chk=000050570-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050570

0 1
O 3.559721 0.869790 1.290188
N 0.445291 -0.382943 -0.437830
N 2.754147 -0.785895 -0.819256
N 3.030205 0.571175 -0.960619
N 1.476406 -2.601378 -0.124982
N 0.274552 -3.115588 0.267617
C -1.938493 -0.014980 -0.049263
C -0.758679 -0.914414 -0.053058
C -3.262922 -0.519234 0.072464
C -1.745732 1.388661 -0.171467
C 1.502361 -1.242689 -0.431519
C -4.364918 0.360594 0.077325
C -2.847791 2.266024 -0.163664
C -0.817656 -2.289303 0.322330
C -4.162426 1.755877 -0.038252
C 3.376771 1.363789 0.146741
C 3.537648 2.844140 -0.177106
H -3.443286 -1.596927 0.144543
H -0.721753 1.762206 -0.266415
H -5.380218 -0.040509 0.166273
H -2.686124 3.345897 -0.251698
H -1.728922 -2.770110 0.681250
H -5.019931 2.437760 -0.031880
H 3.538988 -1.425664 -0.673648
H 2.780626 0.997638 -1.855106
H 3.369762 3.084718 -1.240976
H 4.553691 3.167397 0.105695
H 2.824883 3.420568 0.437213


