%chk=000078457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078457

0 1
 O   0.5562000     -0.6008000      4.1800000E-02
 O    2.245400       1.592700      -1.122000    
 O    3.676700       1.483300      0.6394000    
 N    4.201400      -1.157500     -7.7799998E-02
 C    2.913900     -0.5725000     -0.4484000    
 C    1.806200      -1.172700      0.4128000    
 C  -0.5065000      -1.121200      0.8273000    
 C   -1.793900     -0.4844000      0.3929000    
 C   -2.220500      0.6908000       1.001400    
 C   -2.549000      -1.075500     -0.6138000    
 C    3.014100      0.9240000     -0.2229000    
 C   -3.417600       1.282500      0.5979000    
 C   -3.746000     -0.4839000      -1.017300    
 C   -4.180300      0.6952000     -0.4114000    
 H    2.727700     -0.7593000      -1.511900    
 H    1.764300      -2.259400      0.2683000    
 H    1.989900     -0.9670000       1.475300    
 H  -0.3249000     -0.9165000       1.889900    
 H  -0.5652000      -2.210300      0.7073000    
 H   -1.633100       1.158000       1.787000    
 H   -2.219200      -1.992600      -1.093900    
 H    4.405000     -0.9689000      0.9030000    
 H    4.948600     -0.7256000     -0.6198000    
 H   -3.755400       2.200800       1.069200    
 H   -4.339700     -0.9408000      -1.803700    
 H   -5.112100       1.156000     -0.7258000    
 H    2.291800       2.563800     -0.9917000    


%chk=000078457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078457

0 1
O 0.583685 -0.723108 -0.142241
O 2.914932 2.006068 -0.850069
O 2.611303 1.421027 1.379192
N 4.290077 -0.883873 0.041354
C 2.957138 -0.366029 -0.317155
C 1.872045 -1.268853 0.285966
C -0.555345 -1.433362 0.455797
C -1.828277 -0.664443 0.161061
C -1.836841 0.752172 0.212042
C -3.031796 -1.352986 -0.125733
C 2.774209 1.075687 0.186736
C -3.033407 1.465797 -0.016860
C -4.232414 -0.639442 -0.346959
C -4.236362 0.773025 -0.292891
H 2.855029 -0.366274 -1.413809
H 2.021067 -2.302800 -0.086492
H 1.944366 -1.265732 1.396895
H -0.394029 -1.508797 1.556311
H -0.617682 -2.466961 0.051303
H -0.898937 1.279070 0.415170
H -3.032925 -2.449008 -0.181180
H 4.510381 -0.822583 1.040600
H 5.052182 -0.555809 -0.556924
H -3.029965 2.561243 0.019902
H -5.157737 -1.183352 -0.568274
H -5.164645 1.328318 -0.468836
H 2.841749 2.929206 -0.481807


