PM7 Accuracy

methylenecyclopropane    120 Methylenecyclopropane

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    #  Species Formula
   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 cyclopropeneC4H6
   120 Methylenecyclopropane C4H6
   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
   130 IsobuteneC4H8


DHf: 47.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
Methylenecyclopropane
 H=47.92,0.44 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.31289350  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.46966743  1  148.6817034  1    0.0000000  0     2     1     0
  C     1.46966743  0  148.6817034  0  180.0000000  0     2     1     3
  H     1.08024100  1  123.3123944  1  180.0000000  0     1     2     3
  H     1.08024100  0  123.3123944  0    0.0000000  0     1     2     3
 XX     1.00000000  0  153.5397628  1    0.0000000  0     3     2     1
 XX     1.00000000  0  153.5397628  0    0.0000000  0     4     2     1
  H     1.08744837  1   54.9822791  1   88.6535909  1     3     7     2
  H     1.08744837  0   54.9822791  0  -88.6528692  1     3     7     2
  H     1.08744837  0   54.9822791  0   88.6472547  1     4     8     2
  H     1.08744837  0   54.9822791  0  -88.6479648  1     4     8     2
 
   3  1    4
   3  2    4
   5  1    6
   5  2    6
   7  2    8
   9  1   10   11   12
   9  2   10   11   12