Accuracy

1,5-hexadiene    180 1,5-Hexadiene

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    #  Species Formula
   170 C6H5 radicalC6H5
   171 BenzeneC6H6
   172 Benzene (Geo)C6H6
   173 FulveneC6H6
   174 Fulvene (Geo)C6H6
   175 (E)-1,3,5-HexatrieneC6H8
   176 (Z)-1,3,5-HexatrieneC6H8
   177 1,3-CyclohexadieneC6H8
   178 1,4-CyclohexadieneC6H8
   179 1,2-DimethylcyclobuteneC6H10
   180 1,5-Hexadiene C6H10
   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-HexeneC6H12
   189 2,3-Dimethyl-1-buteneC6H12
   190 2,3-Dimethyl-2-buteneC6H12


ΔHf: 20.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
1,5-Hexadiene
 H=20.1 HR=C&P1970
  C     0.00689872 +1   0.00806574 +1  -0.03999790 +1
  C     1.33276349 +1   0.03817910 +1  -0.17062584 +1
  C     2.12915819 +1   1.30334311 +1  -0.16007078 +1
  C     3.08854883 +1   1.34697789 +1  -1.36222592 +1
  C     3.88693977 +1   2.61076236 +1  -1.34962378 +1
  C     5.21308823 +1   2.63884513 +1  -1.47691259 +1
  H     5.78981811 +1   3.55009177 +1  -1.47900369 +1
  H     5.82759508 +1   1.75987055 +1  -1.58810542 +1
  H     3.29948257 +1   3.52239195 +1  -1.23661623 +1
  H     2.50883806 +1   1.28300616 +1  -2.30806131 +1
  H     3.74310939 +1   0.45297088 +1  -1.35721355 +1
  H     2.70888786 +1   1.36948588 +1   0.78585758 +1
  H     1.47300630 +1   2.19609297 +1  -0.16623711 +1
  H     1.92109209 +1  -0.87262081 +1  -0.28473238 +1
  H    -0.60903205 +1   0.88577869 +1   0.07231077 +1
  H    -0.56804858 +1  -0.90427162 +1  -0.03630503 +1