PM7 Accuracy

2-methyl-2-butene    159 2-Methyl-2-butene

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    #  Species Formula
   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
   159 2-Methyl-2-butene C5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   163 trans-2-PenteneC5H10
   164 Neopentyl, anionC5H11
   165 IsopentaneC5H12
   166 n-PentaneC5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5


DHf: -9.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2-Methyl-2-butene
 H=-9.92 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49281413  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49624739  1  114.3890147  1    0.0000000  0     2     1     0
  C     1.33966684  1  124.3203467  1 -179.9259834  1     2     1     3
  C     1.48979842  1  124.6576605  1   -0.0111569  1     4     2     1
  H     1.09920290  1  111.0149872  1   61.0147278  1     1     2     3
  H     1.09904648  1  111.1275445  1 -119.3976677  1     1     2     6
  H     1.09726139  1  112.8750502  1 -120.3422977  1     1     2     7
  H     1.09889555  1  111.0984563  1   59.4693311  1     3     2     1
  H     1.09889908  1  111.0606124  1 -119.4010769  1     3     2     9
  H     1.09731546  1  112.7807697  1 -120.3034416  1     3     2    10
  H     1.08856230  1  120.7264112  1  179.9783088  1     4     2     5
  H     1.09932140  1  111.5357610  1  -59.9341696  1     5     4     2
  H     1.09934554  1  111.4996922  1  120.1556946  1     5     4    13
  H     1.09774625  1  111.8779791  1  119.8968165  1     5     4    14