PM7 Accuracy

4-methyl-1-pentene    193 4-Methyl-1-pentene

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    #  Species Formula
   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-buteneC6H12
   192 (Z)-3-Methyl-2-penteneC6H12
   193 4-Methyl-1-pentene C6H12
   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
   202 TriethylboraneH15BC6
   203 Benzyl, cationC7H7


DHf: -11.8 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
4-Methyl-1-pentene
 H=-11.82 HR=NIST
  C    -0.01466409  1   0.02428944  1   0.02344293  1
  C     1.51050465  1  -0.11148472  1  -0.04015015  1
  C     2.17931500  1   1.27711246  1  -0.10201103  1
  C     1.85617610  1   1.99137823  1  -1.37446824  1
  C     1.59896289  1   3.29798440  1  -1.43150943  1
  C     2.02344704  1  -0.87623669  1   1.18601897  1
  H    -0.33525979  1   0.55144467  1   0.92806053  1
  H    -0.39834017  1   0.58806755  1  -0.83444109  1
  H    -0.50059010  1  -0.95705735  1   0.02202908  1
  H     1.78259829  1  -0.68325802  1  -0.96006520  1
  H     1.88428504  1   1.87344651  1   0.78335705  1
  H     3.28169906  1   1.16265814  1  -0.02278915  1
  H     1.85963096  1   1.36658969  1  -2.26769394  1
  H     1.58371996  1   3.94609562  1  -0.57067944  1
  H     1.38349919  1   3.82159614  1  -2.34871701  1
  H     3.10672991  1  -1.02842473  1   1.13922841  1
  H     1.80326259  1  -0.33880996  1   2.11459654  1
  H     1.55480755  1  -1.86361855  1   1.26039261  1