Accuracy

2,5-dimethyl 2,4-hexadiene    237 2,5-Dimethyl 2,4-hexadiene

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    #  Species Formula
   227 CubaneC8H8
   228 CyclooctatetraeneC8H8
   229 StyreneC8H8
   230 EthylbenzeneC8H10
   231 m-XyleneC8H10
   232 o-XyleneC8H10
   233 p-XyleneC8H10
   234 1,5-CyclooctadieneC8H12
   235 4-Vinyl cyclohexeneC8H12
   236 1-OctyneC8H14
   237 2,5-Dimethyl 2,4-hexadiene C8H14
   238 2-OctyneC8H14
   239 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   240 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   241 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   242 3-OctyneC8H14
   243 4-OctyneC8H14
   244 Bicyclo(2.2.2)-octaneC8H14
   245 Bicyclo-2,2,2-octaneC8H14
   246 1-OcteneC8H16
   247 EthylcyclohexaneC8H16


ΔHf: -4.6 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
2,5-Dimethyl 2,4-hexadiene
 H=-4.59 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49112705 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.34436254 +1  125.2006962 +1    0.0000000 +0     2     1     0
  C     1.45032404 +1  125.0919453 +1    0.0080056 +1     3     2     1
  C     1.34434641 +1  125.2310634 +1 -179.8475354 +1     4     3     2
  C     1.49149866 +1  125.1397913 +1    0.0095294 +1     5     4     3
  C     1.49678121 +1  114.0933626 +1 -179.9707068 +1     2     1     3
  C     1.49659507 +1  120.7602542 +1  179.9690851 +1     5     4     6
  H     1.09944355 +1  111.1959206 +1  121.8153855 +1     1     2     3
  H     1.09960011 +1  111.1092114 +1  119.6440650 +1     1     2     9
  H     1.09829977 +1  113.0619319 +1  120.1412901 +1     1     2    10
  H     1.09256252 +1  119.4039034 +1 -179.9823083 +1     3     2     4
  H     1.09306387 +1  115.5269434 +1 -179.9834601 +1     4     3     5
  H     1.09938701 +1  111.2168814 +1 -122.1033025 +1     6     5     4
  H     1.09953619 +1  111.0960066 +1 -119.6866668 +1     6     5    14
  H     1.09828094 +1  113.0272182 +1 -120.1123247 +1     6     5    15
  H     1.09929314 +1  111.0684732 +1   61.1601708 +1     7     2     1
  H     1.09912609 +1  111.1740902 +1 -119.3890105 +1     7     2    17
  H     1.09752622 +1  112.8781071 +1 -120.3496417 +1     7     2    18
  H     1.09933148 +1  111.0805385 +1  119.0723816 +1     8     5     4
  H     1.09915207 +1  111.1539421 +1  119.4184233 +1     8     5    20
  H     1.09755759 +1  112.8774034 +1  120.3275712 +1     8     5    21