PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

fulvener    175 Fulvene (Geo)

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    #  Species Formula
   165 IsopentaneC5H12
   166 n-PentaneC5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo) C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-HexatrieneC6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8
   180 1,2-DimethylcyclobuteneC6H10
   181 1,5-HexadieneC6H10
   182 1-Methyl cyclopenteneC6H10
   183 3-Methyl cyclopenteneC6H10
   184 4-Methyl cyclopenteneC6H10
   185 BicyclopropylC6H10


REF: P. A. Baron, R. D. Brown, F. R. Burden, P. J. Domaille, J. E. Kent, J. Mol. Spectrosc., 43, 401 (1970).
  
 PM7
Fulvene
 GR=BBBDK72 <C3-C4> <C2-C3> < > < > < > <C1-C2> < > <C1-C6>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.35500000 +1  108.8850618 +1    0.0000000 +0     2     1     0
  C     1.35541365 +1  108.8046818 +1    0.0000000 +0     1     2     3
  C     1.47000000 +1  108.5633926 +1    0.0000000 +0     3     2     1
  C     1.34900000 +1  127.4858477 +1  180.0000000 +0     5     3     2
  H     1.07843708 +1  123.0352505 +1    0.0000000 +0     6     5     3
  H     1.07838284 +1  123.0302394 +1  180.0000000 +0     6     5     3
  H     1.07168420 +1  122.7082589 +1  180.0000000 +0     2     1     3
  H     1.07142903 +1  122.7342774 +1  180.0000000 +0     1     2     3
  H     1.07132223 +1  128.6064435 +1  180.0000000 +0     3     2     1
  H     1.06957340 +1  128.9837690 +1  180.0000000 +0     4     1     2