%chk=000131366.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131366

0 1
 O   -2.309100     -0.9343000      -2.126200    
 O   -2.082800       2.589200       2.097100    
 O    2.806500       3.061900     -0.3546000    
 O   0.6152000       3.029800     -0.5423000    
 N   -1.115900       1.363300      -2.065800    
 N   -3.933200      -1.302500       1.119400    
 N    1.720200       2.445200     -0.4535000    
 N    4.239900      -1.692300     -0.2837000    
 N    4.568000      -1.935000      0.8983000    
 N    4.873600      -2.159500       1.974800    
 C  -0.7679000      0.9649000     -0.6814000    
 C   -1.897600      0.1564000     -3.6300000E-02
 C   0.5612000      0.2888000     -0.5756000    
 C   -2.180400      0.3535000       1.291900    
 C   -2.590500     -0.7398000     -0.8107000    
 C    1.742000       1.023200     -0.4664000    
 C   0.6054000      -1.105300     -0.5872000    
 C   -3.603000      -1.447800     -0.1834000    
 C   -1.442100       1.319700       2.152000    
 C   -3.211300     -0.4032000       1.825100    
 C    2.967200      0.3636000     -0.3690000    
 C    1.830500      -1.764900     -0.4897000    
 C    3.011500      -1.030600     -0.3807000    
 C   -4.407500      -2.444100     -0.9521000    
 H  -0.8700000       1.873900     -0.1062000    
 H  -0.2656000      -1.740100     -0.6808000    
 H  -0.4152000       2.017500      -2.413100    
 H   -1.996200       1.878700      -2.058500    
 H   -1.466000      0.9809000       3.194900    
 H  -0.3829000       1.421400       1.901300    
 H   -3.503200     -0.3097000       2.866700    
 H    3.904700      0.9089000     -0.2842000    
 H    1.855800      -2.851600     -0.5031000    
 H   -4.935800      -1.961100      -1.780500    
 H   -3.768300      -3.244900      -1.337800    
 H   -5.163300      -2.910000     -0.3101000    
 H   -2.889200      -1.606600      -2.515700    
 H   -1.589700       3.182800       2.688700    


%chk=000131366-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131366

0 1
O -2.316406 -1.069126 -2.073745
O -1.845224 2.698833 1.810040
O 2.838679 2.887302 0.610324
O 1.017773 3.122274 -0.737904
N -1.065036 1.400306 -1.983510
N -4.281566 -1.171242 1.073392
N 1.868977 2.391408 -0.088685
N 4.197038 -1.977905 -0.058509
N 5.329158 -1.454000 0.167611
N 6.462076 -1.170036 0.370758
C -0.826669 0.987322 -0.591897
C -1.996584 0.181604 -0.014066
C 0.528316 0.251342 -0.429835
C -2.403346 0.382934 1.337443
C -2.749474 -0.753882 -0.765828
C 1.769053 0.915678 -0.190426
C 0.604043 -1.166417 -0.541168
C -3.893393 -1.399417 -0.212682
C -1.652903 1.305506 2.274008
C -3.536075 -0.310023 1.821236
C 2.998117 0.230914 -0.045178
C 1.809904 -1.872161 -0.424774
C 3.019558 -1.173419 -0.169607
C -4.716815 -2.371583 -1.033647
H -0.797307 1.918434 -0.005339
H -0.318197 -1.721970 -0.725409
H -0.488871 2.198003 -2.263217
H -1.147949 0.636511 -2.658045
H -2.047662 1.180785 3.302501
H -0.570922 1.051046 2.284214
H -3.873798 -0.160929 2.853307
H 3.903019 0.811564 0.160172
H 1.839301 -2.961831 -0.517599
H -5.131515 -1.905799 -1.951255
H -4.135637 -3.267026 -1.332266
H -5.565440 -2.709546 -0.420191
H -3.000766 -1.604851 -2.546484
H -1.308455 3.309698 2.377863


