%chk=000002045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002045

0 1
 O    5.616000     -0.3484000     -7.0900001E-02
 N   -2.802300       1.948100      0.4353000    
 N   0.2338000       2.724400      -1.282800    
 N   -5.541500     -0.4036000      0.3355000    
 N   -1.846100      -2.694800     -0.5290000    
 C    1.501900     -0.2621000      0.3355000    
 C    2.065800     -0.9049000     -0.7566000    
 C    2.294800      0.3524000       1.293700    
 C   3.9400000E-02 -0.2320000      0.4806000    
 C    3.453700     -0.9339000     -0.8937000    
 C    3.682600      0.3234000       1.156500    
 C    4.262100     -0.3197000      6.2899999E-02
 C  -0.7866000      0.7241000      9.8000001E-03
 C   -2.249100      0.7177000      0.1634000    
 C   -2.967700     -0.4280000      3.7099998E-02
 C  -0.2225000       1.828300     -0.7033000    
 C   -4.388800     -0.4130000      0.2019000    
 C   -2.345600      -1.678000     -0.2759000    
 H  -0.3294000      -1.044600       1.101200    
 H    1.447000      -1.387900      -1.508500    
 H    1.855800      0.8561000       2.150900    
 H    3.899300      -1.436700      -1.747800    
 H    4.301300      0.8055000       1.908700    
 H   -2.212100       2.754900      0.5955000    
 H   -3.802600       2.040000      0.5601000    
 H    6.016800      0.1239000      0.6789000    


%chk=000002045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002045

0 1
O 5.783256 -0.378538 0.119443
N -3.085914 1.596155 -0.669852
N -0.297399 2.163331 -2.516851
N -5.506766 -0.080615 1.143278
N -1.766458 -2.488576 1.725061
C 1.565632 0.009451 0.259320
C 2.352684 0.611866 -0.776773
C 2.252682 -0.743061 1.265581
C 0.120215 0.079925 0.386586
C 3.744761 0.469506 -0.799098
C 3.646502 -0.894350 1.250413
C 4.396793 -0.282918 0.212411
C -0.849302 0.685717 -0.405476
C -2.304385 0.621216 -0.099161
C -2.927775 -0.363224 0.710785
C -0.517154 1.476834 -1.559272
C -4.330445 -0.235586 0.963877
C -2.277703 -1.511891 1.250823
H -0.261056 -0.437881 1.273348
H 1.877956 1.195066 -1.568407
H 1.670800 -1.223210 2.060939
H 4.350450 0.927145 -1.586013
H 4.146902 -1.481015 2.030457
H -2.674613 2.334550 -1.239930
H -4.099366 1.582177 -0.546836
H 6.165703 -0.920872 0.854345


