PM7 Accuracy

methyl cyclopropene    119 Methyl cyclopropene

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    #  Species Formula
   109 Vinylacetylene (Geo)C4H4
   110 VinylacetyleneC4H4
   111 1,2-ButadieneC4H6
   112 1,3-ButadieneC4H6
   113 1-ButyneC4H6
   114 2-ButyneC4H6
   115 Bicyclobutane (Geo)C4H6
   116 BicyclobutaneC4H6
   117 2-Butyne (Geo)C4H6
   118 CyclobuteneC4H6
   119 Methyl cyclopropene C4H6
   120 MethylenecyclopropaneC4H6
   121 1,3-Butadiene (Geo)C4H6
   122 2-Butenyl, cationC4H7
   123 Cyclobutyl, cationC4H7
   124 1-ButeneC4H8
   125 1-Butene (Geo)C4H8
   126 cis-2-ButeneC4H8
   127 Cyclobutane (Geo)C4H8
   128 CyclobutaneC4H8
   129 Isobutene (Geo)C4H8


DHf: 58.2 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Methyl cyclopropene
 HR=C&P1970 H=58.2
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.50260821  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50386740  1   51.8332215  1    0.0000000  0     2     1     0
  C     1.44466288  1  142.7297820  1  179.9923790  1     3     2     1
  H     1.03959824  1  142.2938553  1  179.9993874  1     1     2     3
  H     1.08523035  1  120.8518870  1 -107.0309688  1     2     1     3
  H     1.08522849  1  120.8646132  1  107.0403067  1     2     1     3
  H     1.10301475  1  112.2530966  1   -0.1337170  1     4     3     2
  H     1.10496078  1  111.5951357  1  120.2309457  1     4     3     2
  H     1.10495789  1  111.6075647  1 -120.5175424  1     4     3     2