PM7 Accuracy

1,2-dimethyl cyclopropene    148 1,2-Dimethyl cyclopropene

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    #  Species Formula
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4
   141 n-Butyl lithiumH9LiC4
   142 t-Butyl lithiumH9LiC4
   143 DiethylberylliumH10BeC4
   144 C4B2H6C4H6B2
   145 Cyclopentadienyl, anionC5H5
   146 Cyclopentadiene (Geo)C5H6
   147 CyclopentadieneC5H6
   148 1,2-Dimethyl cyclopropene C5H8
   149 1,4-PentadieneC5H8
   150 1,cis-3-PentadieneC5H8
   151 1,trans-3-PentadieneC5H8
   152 Bicyclo(2.1.0)-pentaneC5H8
   153 CyclopenteneC5H8
   154 IsopreneC5H8
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9


DHf: 46.4 kcal/mol,     REF: R. B. Turner, P. Goebel, B. J. Mallon, W. von E. Doering, J. F. Coburn, M. Pomerantz, J. Am. Chem. Soc., 90, 4315 (1968).
  
 PM7
1,2-Dimethyl cyclopropene
 HR=TGMD1968 H=46.4
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50455174  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50462513  1   51.8613056  1    0.0000000  0     2     1     0
  C     1.44466991  1  142.7285357  1  179.9919729  1     3     2     1
  C     1.44464626  1  142.7307337  1 -179.9923571  1     1     2     3
  H     1.08445546  1  120.8570734  1 -106.8992653  1     2     1     3
  H     1.08445300  1  120.8700048  1  106.9084851  1     2     1     3
  H     1.10297735  1  112.0353222  1   -0.1561535  1     4     3     2
  H     1.10438434  1  111.5922112  1  120.1186841  1     4     3     2
  H     1.10437976  1  111.6042545  1 -120.4501069  1     4     3     2
  H     1.10297213  1  112.0347835  1    0.1477925  1     5     1     2
  H     1.10437345  1  111.6085619  1  120.4401642  1     5     1     2
  H     1.10437726  1  111.5966881  1 -120.1258305  1     5     1     2