PM7 Accuracy

2,3-dimethyl-2-butene    191 2,3-Dimethyl-2-butene

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    #  Species Formula
   181 1,5-HexadieneC6H10
   182 1-Methyl cyclopenteneC6H10
   183 3-Methyl cyclopenteneC6H10
   184 4-Methyl cyclopenteneC6H10
   185 BicyclopropylC6H10
   186 Cyclohexene (Geo)C6H10
   187 CyclohexeneC6H10
   188 Cyclohexyl, cationC6H11
   189 1-HexeneC6H12
   190 2,3-Dimethyl-1-buteneC6H12
   191 2,3-Dimethyl-2-butene C6H12
   192 (Z)-3-Methyl-2-penteneC6H12
   193 4-Methyl-1-penteneC6H12
   194 Cyclohexane (Geo)C6H12
   195 CyclohexaneC6H12
   196 2,2-Dimethyl butaneC6H14
   197 2,3-Dimethyl butaneC6H14
   198 2-Methyl pentaneC6H14
   199 3-Methyl pentaneC6H14
   200 n-HexaneC6H14
   201 Phenyl lithiumH5LiC6


DHf: -16.8 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
2,3-Dimethyl-2-butene
 H=-16.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49673844  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.34240917  1  123.9462904  1    0.0000000  0     2     1     0
  C     1.49671707  1  123.8539408  1 -179.9488152  1     3     2     1
  C     1.49672021  1  112.1185325  1 -179.9442803  1     2     1     3
  C     1.49643335  1  123.9298876  1  179.9679282  1     3     2     4
  H     1.09906243  1  110.9350424  1  119.8685754  1     1     2     3
  H     1.09911850  1  110.9570993  1  119.4056769  1     1     2     7
  H     1.09701591  1  113.5423553  1  120.2465336  1     1     2     8
  H     1.09904498  1  110.9379565  1  119.8454876  1     4     3     2
  H     1.09907244  1  110.9687612  1  119.4456909  1     4     3    10
  H     1.09708615  1  113.5045228  1  120.2236883  1     4     3    11
  H     1.09908470  1  110.9750474  1  -59.7862482  1     5     2     1
  H     1.09912230  1  110.9594081  1  119.4379959  1     5     2    13
  H     1.09714968  1  113.5119900  1  120.2295214  1     5     2    14
  H     1.09909144  1  110.9535123  1  120.2034384  1     6     3     2
  H     1.09911236  1  110.9445363  1  119.4532409  1     6     3    16
  H     1.09708754  1  113.5215498  1  120.2186836  1     6     3    17