PM7 Accuracy

3,4-dimethyl-(z,z)-2,4-hexadiene    242 3,4-Dimethyl-(Z,Z)-2,4-hexadiene

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    #  Species Formula
   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-hexadieneC8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadiene C8H14
   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
   251 2,2,3-Trimethyl pentaneC8H18
   252 2,2,4-Trimethyl pentaneC8H18


DHf: -0.9 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-(Z,Z)-2,4-hexadiene
 H=-0.92 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48895306  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33898219  1  124.1491300  1    0.0000000  0     2     1     0
  C     1.49491574  1  122.2291728  1  179.9009991  1     3     2     1
  C     1.47278237  1  123.3748982  1 -179.3947465  1     3     2     4
  C     1.33909752  1  123.4199167  1  -92.5571174  1     5     3     2
  C     1.48847984  1  124.1907220  1    0.6568109  1     6     5     3
  C     1.49495964  1  114.3991452  1 -179.3849902  1     5     3     6
  H     1.09968384  1  110.8931792  1 -106.3511575  1     1     2     3
  H     1.09978552  1  112.5929240  1  120.0711174  1     1     2     9
  H     1.09868215  1  111.3989650  1  120.2619467  1     1     2    10
  H     1.08862658  1  114.5098073  1  179.6587600  1     2     1     3
  H     1.09964200  1  110.9577154  1 -117.1574530  1     4     3     2
  H     1.10039828  1  110.8287055  1 -118.8761306  1     4     3    13
  H     1.09685987  1  112.8104121  1 -120.5476207  1     4     3    14
  H     1.08878411  1  121.1239303  1 -179.7430492  1     6     5     7
  H     1.09975447  1  112.5940704  1   13.6044933  1     7     6     5
  H     1.09970489  1  110.9136998  1 -120.2218978  1     7     6    17
  H     1.09886775  1  111.3741742  1 -119.5734113  1     7     6    18
  H     1.10041390  1  110.8195662  1  -56.4638705  1     8     5     3
  H     1.09965311  1  110.9617230  1  118.8345048  1     8     5    20
  H     1.09683764  1  112.8243438  1  120.6192126  1     8     5    21