PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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