%chk=000080387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080387

0 1
 O    2.942800       1.040700      0.4657000    
 O    2.186600      -1.046900       1.010300    
 O   -3.561100      0.4625000      0.1826000    
 N   -1.570000     -0.1065000     -6.8400003E-02
 N   -2.662800     -0.2480000      0.6444000    
 C    1.249000      7.0400000E-02 -0.8858000    
 C   0.4181000      -1.196300      -1.080800    
 C   0.3581000       1.302100     -0.7391000    
 C  -0.7385000      -1.315600     -8.2699999E-02
 C  -0.7868000       1.092700      0.2568000    
 C    2.164600     -5.5199999E-02  0.2970000    
 H    1.899800      0.1894000      -1.761700    
 H    1.044900      -2.094600      -1.024100    
 H  -2.7000001E-03  -1.180300      -2.095400    
 H  -7.6099999E-02   1.533200      -1.721400    
 H   0.9330000       2.188100     -0.4457000    
 H   -1.341100      -2.184700     -0.3805000    
 H  -0.3522000      -1.532600      0.9220000    
 H  -0.3834000       1.028000       1.276800    
 H   -1.420300       1.989400      0.2234000    
 H    3.538100      0.9518000       1.240200    


%chk=000080387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080387

0 1
O 2.999267 1.070883 0.425140
O 2.288418 -1.033026 1.089148
O -3.502043 0.810954 0.076049
N -1.476569 -0.179981 0.154411
N -2.846051 -0.293665 -0.027479
C 1.227500 0.071621 -0.878444
C 0.399427 -1.221384 -1.093806
C 0.293299 1.313895 -0.719601
C -0.681836 -1.408849 -0.001705
C -0.771349 1.097669 0.380512
C 2.183001 -0.064240 0.304156
H 1.870899 0.251928 -1.762241
H 1.061568 -2.105273 -1.090762
H -0.087689 -1.161776 -2.085227
H -0.217211 1.484393 -1.685649
H 0.892411 2.211471 -0.489340
H -1.383341 -2.217515 -0.265643
H -0.193923 -1.660656 0.958245
H -0.302468 1.078696 1.384555
H -1.536729 1.893647 0.369885
H 3.623420 0.948807 1.191398


