PM7 Accuracy

4-vinyl cyclohexene    236 4-Vinyl cyclohexene

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    #  Species Formula
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-XyleneC8H10
   234 p-XyleneC8H10
   235 1,5-CyclooctadieneC8H12
   236 4-Vinyl cyclohexene C8H12
   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-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14
   246 Bicyclo-2,2,2-octaneC8H14


DHf: 16.6 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
4-Vinyl cyclohexene
 H=16.62 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33606142  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49372775  1  123.4534701  1    0.0000000  0     2     1     0
  C     1.54332822  1  111.6396239  1  -17.4010711  1     3     2     1
  C     1.53953982  1  109.5903690  1   47.2797569  1     4     3     2
  C     1.49478971  1  123.5477763  1    1.2555982  1     1     2     3
  C     1.49917104  1  109.5950170  1  120.8476988  1     4     3     5
  C     1.33249047  1  122.9445579  1  114.4020361  1     7     4     3
  H     1.08792429  1  121.6384726  1  179.1250557  1     1     2     6
  H     1.08788739  1  121.7163339  1  179.0758620  1     2     1     3
  H     1.11068734  1  109.1917377  1  122.0281252  1     3     2     4
  H     1.10830495  1  110.7126740  1  115.7995956  1     3     2    11
  H     1.11773672  1  108.3193630  1  120.9452923  1     4     3     7
  H     1.10552721  1  110.0860387  1   58.7605450  1     5     4     3
  H     1.10474877  1  110.1714962  1  116.6665349  1     5     4    14
  H     1.10880171  1  110.3378249  1 -138.4498924  1     6     1     2
  H     1.11112411  1  109.1395228  1 -115.5749861  1     6     1    16
  H     1.08910380  1  114.9757636  1 -179.8900957  1     7     4     8
  H     1.07850318  1  123.9601943  1    0.1408026  1     8     7     4
  H     1.07870236  1  123.4726976  1 -179.9905891  1     8     7    19