%chk=000021453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021453

0 1
 O   -2.315000       2.168200     -0.2343000    
 O   -4.369900      0.3598000     -0.7179000    
 N    3.472100      0.8432000      0.2713000    
 N    3.382500     -0.9665000      -1.317600    
 N    1.907100      0.9501000       2.049800    
 N    5.009200      0.7150000      -1.496700    
 C   0.6213000      -1.465700       1.179300    
 C  -0.6962000     -0.9799000      0.6774000    
 C    1.812900     -0.8535000      0.4707000    
 C  -0.8979000      0.3818000      0.4519000    
 C   -1.727400      -1.887300      0.4343000    
 C   -2.130600      0.8360000     -1.6700000E-02
 C   -3.161700     -7.1300000E-02 -0.2598000    
 C   -2.960200      -1.433000     -3.4100000E-02
 C    2.411100      0.2952000      0.8990000    
 C    2.324200      -1.459000     -0.6409000    
 C    3.899800      0.1704000     -0.8141000    
 C   -1.210900       3.028500      3.9000001E-02
 C   -5.370200     -0.6321000     -0.9407000    
 H   0.6748000      -1.328100       2.264800    
 H   0.6881000      -2.555700       1.050300    
 H  -9.4499998E-02   1.069200      0.6520000    
 H   -1.585000      -2.950800      0.6073000    
 H   -3.714500      -2.194300     -0.2002000    
 H    1.907300      -2.373400      -1.048700    
 H    1.535800      0.3965000       2.810100    
 H    2.373800       1.812700       2.305200    
 H  -0.3580000       2.813700     -0.6142000    
 H  -0.9409000       3.016600       1.100600    
 H   -1.534800       4.048900     -0.1919000    
 H   -5.651600      -1.137600     -1.0600000E-02
 H   -5.072600      -1.336500      -1.724800    
 H   -6.263800     -0.1129000      -1.302600    
 H    5.432000       1.567800      -1.157200    
 H    5.366700      0.2463000      -2.317600    


%chk=000021453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021453

0 1
O -2.473565 1.904513 -1.235879
O -4.401267 0.729595 0.145958
N 3.313554 0.526330 1.359407
N 4.100284 -0.054666 -0.888813
N 1.285870 -0.262227 2.202410
N 5.361231 1.311788 0.540124
C 0.757731 -1.853829 -0.273542
C -0.612719 -1.185387 -0.121256
C 1.958148 -0.945707 -0.066514
C -0.874124 0.062036 -0.750418
C -1.643058 -1.796875 0.621771
C -2.136231 0.680810 -0.650162
C -3.181187 0.045681 0.101745
C -2.919508 -1.188357 0.731725
C 2.186542 -0.222766 1.158286
C 2.963444 -0.798930 -1.040869
C 4.219621 0.568011 0.332158
C -1.430830 2.584881 -2.009367
C -5.490045 0.099131 0.894595
H 0.806837 -2.711690 0.429026
H 0.836378 -2.290475 -1.290239
H -0.066247 0.543402 -1.311013
H -1.464514 -2.763376 1.108510
H -3.702371 -1.687538 1.310516
H 2.863969 -1.313641 -2.006026
H 0.346015 -0.630837 2.064851
H 1.500767 0.291595 3.029686
H -1.103958 1.971378 -2.871464
H -0.555637 2.831060 -1.377208
H -1.903371 3.510409 -2.368909
H -5.231115 -0.016950 1.965612
H -5.754199 -0.888528 0.467946
H -6.340804 0.788270 0.791354
H 5.492122 1.786119 1.428503
H 6.055236 1.359071 -0.200104


