%chk=000085796.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085796

0 1
 O   0.6786000       1.471600     -0.4255000    
 O  -0.5327000      -2.721500     -0.5512000    
 O   -3.406000      0.6410000      0.8716000    
 N    2.838400      0.6168000       1.350500    
 C   0.8090000      0.2126000      1.2800000E-02
 C  -0.3583000     -0.4465000      0.1197000    
 C    2.238700     -0.2044000      0.2954000    
 C   -1.338000      0.4878000     -0.2930000    
 C  -0.5834000      -1.834400      0.5663000    
 C  -0.6568000       1.638700     -0.6143000    
 C    3.106500     -0.1431000     -0.9637000    
 C   -2.796000      0.2815000     -0.3685000    
 H    2.239200      -1.243700      0.6446000    
 H   0.1621000      -2.157700       1.299800    
 H   -1.565000      -1.947000       1.037300    
 H  -0.9580000       2.612500     -0.9731000    
 H    2.679500     -0.7646000      -1.759000    
 H    4.119300     -0.5091000     -0.7614000    
 H    3.188400      0.8789000      -1.351800    
 H   -3.238800      0.9080000      -1.149800    
 H   -3.055200     -0.7573000     -0.5968000    
 H    3.793900      0.3070000       1.524400    
 H    2.330800      0.4741000       2.223200    
 H   0.3731000      -2.695600     -0.9047000    
 H   -3.083800      2.0500001E-02   1.547800    


%chk=000085796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085796

0 1
O 0.663548 1.432420 -0.353757
O -1.178121 -2.820845 -0.467734
O -3.632583 1.239777 -0.003809
N 2.877415 0.304381 1.511992
C 0.940059 0.103732 0.027907
C -0.257194 -0.597249 0.147993
C 2.383313 -0.274575 0.242211
C -1.336006 0.330148 -0.183901
C -0.436371 -2.035823 0.546915
C -0.733674 1.539513 -0.480053
C 3.284540 0.214387 -0.916347
C -2.814527 0.030209 -0.202765
H 2.406516 -1.393643 0.239115
H 0.545100 -2.505664 0.762920
H -1.067757 -2.130851 1.447741
H -1.110837 2.508223 -0.791592
H 2.954027 -0.209489 -1.880628
H 4.331988 -0.096873 -0.744348
H 3.248047 1.313972 -0.978376
H -3.137989 -0.352869 -1.185187
H -3.057503 -0.750107 0.548159
H 3.884952 0.203973 1.662871
H 2.315924 0.084399 2.338716
H -0.741277 -2.685589 -1.347388
H -3.346089 1.674542 0.839946


