PM7 Accuracy

1,2-dimethylcyclobutene    180 1,2-Dimethylcyclobutene

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    #  Species Formula
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6
   176 (E)-1,3,5-HexatrieneC6H8
   177 (Z)-1,3,5-HexatrieneC6H8
   178 1,3-CyclohexadieneC6H8
   179 1,4-CyclohexadieneC6H8
   180 1,2-Dimethylcyclobutene C6H10
   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


DHf: 19.8 kcal/mol,     REF: R. B. Turner, P. Goebel, B. J. Mallon, W. von E. Doering, J. F. Coburn, M. Pomerantz, J. Am. Chem. Soc., 90, 4315 (1968).
  
 PM7
1,2-Dimethylcyclobutene
 H=19.8 HR=TGMD1968
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.35013200  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53004229  1   94.2966649  1    0.0000000  0     1     2     0
  C     1.53002526  1   94.3006548  1    0.0197850  1     2     1     3
  H     1.08956768  1  115.3226879  1 -115.5072253  1     3     1     2
  H     1.08959370  1  115.3096728  1  115.5216479  1     3     1     2
  H     1.08961932  1  115.3248461  1  115.5315556  1     4     2     1
  H     1.08959796  1  115.3111690  1 -115.4881103  1     4     2     1
  C     1.46128901  1  136.8272997  1 -179.9817162  1     2     1     3
  C     1.46123865  1  136.8530272  1  179.9889814  1     1     2     3
  H     1.10031947  1  112.1277744  1   -0.7312768  1     9     2     1
  H     1.10203986  1  111.4191933  1  119.5375157  1     9     2     1
  H     1.10198318  1  111.4488244  1 -121.0398448  1     9     2     1
  H     1.10034022  1  112.1321488  1    0.5422809  1    10     1     2
  H     1.10196711  1  111.4496798  1  120.8534294  1    10     1     2
  H     1.10200838  1  111.4244520  1 -119.7340452  1    10     1     2