PM7 Accuracy

3,4-dimethyl-(e,e)-2,4-hexadiene    240 3,4-Dimethyl-(E,E)-2,4-hexadiene

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    #  Species Formula
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-XyleneC8H10
   234 p-XyleneC8H10
   235 1,5-CyclooctadieneC8H12
   236 4-Vinyl cyclohexeneC8H12
   237 1-OctyneC8H14
   238 2,5-Dimethyl 2,4-hexadieneC8H14
   239 2-OctyneC8H14
   240 3,4-Dimethyl-(E,E)-2,4-hexadiene C8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14
   246 Bicyclo-2,2,2-octaneC8H14
   247 1-OcteneC8H16
   248 EthylcyclohexaneC8H16
   249 2,2,3,3-Tetramethyl butaneC8H18
   250 2,2,3,3-TetramethylbutaneC8H18


DHf: -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