PM7 Accuracy

isobutene    130 Isobutene

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    #  Species Formula
   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
   130 Isobutene C4H8
   131 trans-2-Butene (Geo)C4H8
   132 trans-2-ButeneC4H8
   133 Isobutyl, cationC4H9
   134 IsobutylC4H9
   135 n-Butane (Geo)C4H10
   136 Isobutane (Geo)C4H10
   137 IsobutaneC4H10
   138 n-Butane, transC4H10
   139 t-butyl lithium (Geo)H9LiC4
   140 n-Butyl lithium (Geo)H9LiC4


DHf: -4.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
Isobutene
 HR=C&P1970 H=-4.3
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33499540  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49411609  1  122.4736692  1    0.0000000  0     2     1     0
  C     1.49411609  0  122.4736692  0  180.0000000  0     2     1     3
  H     1.09800849  1  112.5546916  1    0.0000000  0     3     2     1
 XX     1.00000000  0  127.6695782  1  180.0000000  0     3     2     1
  H     1.09900790  1   53.6469247  1   90.0000000  0     3     6     2
  H     1.09900790  0   53.6469247  0  -90.0000000  0     3     6     2
  H     1.09800849  0  112.5546916  0    0.0000000  0     4     2     1
 XX     1.00000000  0  127.6695782  0  180.0000000  0     4     2     1
  H     1.09900790  0   53.6469247  0   90.0000000  0     4    10     2
  H     1.09900790  0   53.6469247  0  -90.0000000  0     4    10     2
  H     1.07637060  1  123.7734289  1    0.0000000  0     1     2     3
  H     1.07637060  0  123.7734289  0  180.0000000  0     1     2     3
 
   9  1   10
   9  2   10
  13  1   14
  13  2   14