%chk=000082111.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082111

0 1
 O  -0.6331000       1.916600     -0.6961000    
 N  -0.5621000     -0.4247000     -0.4621000    
 N    3.500300      0.2646000       1.058000    
 C   -1.258300      -1.424500      0.3127000    
 C   -2.558500     -0.7351000      0.6749000    
 C   -2.182000      0.7398000      0.7509000    
 C   0.5970000     -0.7571000      -1.261800    
 C   -1.046900      0.8618000     -0.2388000    
 C    1.871900     -0.8668000     -0.4278000    
 C    2.271600      0.4255000      0.2901000    
 H  -0.6608000      -1.656700       1.200000    
 H   -1.422500      -2.330600     -0.2772000    
 H   -2.996300      -1.112500       1.603000    
 H   -3.292200     -0.8820000     -0.1277000    
 H   -1.811100       1.007400       1.745200    
 H   -3.016500       1.388000      0.4732000    
 H   0.7286000      2.5300000E-02  -2.018000    
 H   0.3976000      -1.698100      -1.785600    
 H    2.689100      -1.176400      -1.091900    
 H    1.751400      -1.667300      0.3135000    
 H    1.483400      0.7340000      0.9834000    
 H    2.405700       1.230700     -0.4406000    
 H    3.762200       1.159500       1.469300    
 H    4.262300      2.4000001E-03  0.4341000    


%chk=000082111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082111

0 1
O -0.879383 1.915894 -1.076582
N -0.577294 -0.353407 -0.495151
N 3.530878 0.046133 1.103293
C -1.125306 -1.355685 0.439428
C -2.508751 -0.759830 0.833909
C -2.342231 0.765671 0.613067
C 0.598668 -0.604321 -1.338157
C -1.207796 0.885777 -0.419614
C 1.897567 -0.848545 -0.533229
C 2.313987 0.361919 0.326735
H -0.465094 -1.477436 1.323055
H -1.213242 -2.341998 -0.053655
H -2.788891 -1.021150 1.867657
H -3.288578 -1.154446 0.159158
H -2.033409 1.292855 1.535714
H -3.249757 1.264787 0.237315
H 0.707436 0.287501 -1.983447
H 0.396304 -1.478150 -1.989960
H 2.704752 -1.084912 -1.257190
H 1.797582 -1.732312 0.125845
H 1.502472 0.591605 1.043100
H 2.409212 1.255167 -0.336572
H 3.752161 0.727879 1.835391
H 4.349513 -0.159196 0.520590


