Accuracy

1-hexene    188 1-Hexene

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    #  Species Formula
   178 1,4-CyclohexadieneC6H8
   179 1,2-DimethylcyclobuteneC6H10
   180 1,5-HexadieneC6H10
   181 1-Methyl cyclopenteneC6H10
   182 3-Methyl cyclopenteneC6H10
   183 4-Methyl cyclopenteneC6H10
   184 BicyclopropylC6H10
   185 Cyclohexene (Geo)C6H10
   186 CyclohexeneC6H10
   187 Cyclohexyl, cationC6H11
   188 1-Hexene C6H12
   189 2,3-Dimethyl-1-buteneC6H12
   190 2,3-Dimethyl-2-buteneC6H12
   191 (Z)-3-Methyl-2-penteneC6H12
   192 4-Methyl-1-penteneC6H12
   193 Cyclohexane (Geo)C6H12
   194 CyclohexaneC6H12
   195 2,2-Dimethyl butaneC6H14
   196 2,3-Dimethyl butaneC6H14
   197 2-Methyl pentaneC6H14
   198 3-Methyl pentaneC6H14


ΔHf: -10.1 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
1-Hexene
 H=-10.06 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52891585 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53412372 +1  110.8937711 +1    0.0000000 +0     2     1     0
  C     1.53458004 +1  110.8169425 +1 -179.9689119 +1     3     2     1
  C     1.49525463 +1  112.0390015 +1 -179.9249910 +1     4     3     2
  C     1.33326572 +1  122.5933021 +1  179.8320327 +1     5     4     3
  H     1.09566272 +1  111.4847885 +1   60.1753110 +1     1     2     3
  H     1.09567844 +1  111.4933868 +1 -120.1761496 +1     1     2     7
  H     1.09563065 +1  111.1989382 +1 -119.9129275 +1     1     2     8
  H     1.10651751 +1  109.8790459 +1 -121.9982013 +1     2     1     3
  H     1.10655561 +1  109.8872542 +1 -116.0607298 +1     2     1    10
  H     1.10626702 +1  109.8771668 +1  121.9569246 +1     3     2     4
  H     1.10630743 +1  109.8817945 +1  116.1507599 +1     3     2    12
  H     1.11062371 +1  109.7335331 +1 -122.4259196 +1     4     3     5
  H     1.11049447 +1  109.7661902 +1 -115.1222965 +1     4     3    14
  H     1.08915037 +1  115.6864583 +1  179.9860059 +1     5     4     6
  H     1.07739505 +1  123.9432045 +1   -0.0159288 +1     6     5     4
  H     1.07774116 +1  123.4383758 +1 -179.9987438 +1     6     5    17