Accuracy

3,4-dimethyl-(e,e)-2,4-hexadiene    239 3,4-Dimethyl-(E,E)-2,4-hexadiene

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    #  Species Formula
   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-hexadieneC8H14
   238 2-OctyneC8H14
   239 3,4-Dimethyl-(E,E)-2,4-hexadiene C8H14
   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
   248 2,2,3,3-Tetramethyl butaneC8H18
   249 2,2,3-Trimethyl pentaneC8H18


ΔHf: -0.5 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
3,4-Dimethyl-(E,E)-2,4-hexadiene
 H=-0.54 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.49005284 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.34454924 +1  124.8315576 +1    0.0000000 +0     2     1     0
  C     1.49744710 +1  121.4938335 +1    0.0032995 +1     3     2     1
  C     1.47470604 +1  121.9326303 +1 -179.9570477 +1     3     2     4
  C     1.34474069 +1  122.0351999 +1 -179.6724764 +1     5     3     2
  C     1.48979976 +1  124.8126279 +1 -179.9416786 +1     6     5     3
  C     1.49754940 +1  116.5556478 +1 -179.9397791 +1     5     3     6
  H     1.09977996 +1  111.5575664 +1  -60.1939059 +1     1     2     3
  H     1.09979728 +1  111.5439552 +1  120.2067634 +1     1     2     9
  H     1.09776480 +1  111.9058897 +1  119.8832115 +1     1     2    10
  H     1.08899694 +1  113.5387296 +1 -179.9986961 +1     2     1     3
  H     1.09951110 +1  111.0546693 +1 -119.9454249 +1     4     3     2
  H     1.09951221 +1  111.0664438 +1 -120.2373499 +1     4     3    13
  H     1.09698531 +1  112.9742749 +1 -119.8952685 +1     4     3    14
  H     1.08892840 +1  121.4457734 +1  179.9932800 +1     6     5     7
  H     1.09978519 +1  111.5297898 +1   60.4035933 +1     7     6     5
  H     1.09981151 +1  111.5559119 +1 -120.1922009 +1     7     6    17
  H     1.09778546 +1  111.9137473 +1 -119.9022668 +1     7     6    18
  H     1.09946278 +1  111.0810879 +1  -59.9419556 +1     8     5     3
  H     1.09946780 +1  111.0437505 +1  120.2216163 +1     8     5    20
  H     1.09697307 +1  112.9829841 +1  119.8905749 +1     8     5    21