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

1,5-cyclooctadiene    235 1,5-Cyclooctadiene

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    #  Species Formula
   225 3-Ethyl pentaneC7H16
   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-Cyclooctadiene C8H12
   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-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14


ΔHf: 13.7 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
1,5-Cyclooctadiene
 H=13.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.33696938 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.49544243 +1  124.6760105 +1    0.0000000 +0     2     1     0
  C     1.54498827 +1  110.9647228 +1   74.6527191 +1     3     2     1
  C     1.49541417 +1  111.0307814 +1 -104.7864788 +1     4     3     2
  C     1.33690599 +1  124.7270862 +1   74.6730104 +1     5     4     3
  C     1.49543594 +1  124.6547379 +1   -0.1725766 +1     6     5     4
  C     1.49536786 +1  124.6411812 +1   -0.0844859 +1     1     2     3
  H     1.08924687 +1  120.7684930 +1 -179.3064993 +1     1     2     8
  H     1.08940569 +1  120.7009248 +1  179.3943969 +1     2     1     3
  H     1.10675674 +1  110.6072779 +1  121.9381033 +1     3     2     4
  H     1.11007382 +1  110.3816392 +1  115.9332847 +1     3     2    11
  H     1.11005714 +1  109.8494543 +1  122.4594564 +1     4     3     5
  H     1.10690636 +1  109.6332541 +1  115.0793417 +1     4     3    13
  H     1.08948626 +1  114.5211582 +1 -179.4937901 +1     5     4     6
  H     1.08927642 +1  120.7639117 +1 -179.2335170 +1     6     5     7
  H     1.10997020 +1  110.4595858 +1   47.5784852 +1     7     6     5
  H     1.10674432 +1  110.6252574 +1  116.1027057 +1     7     6    17
  H     1.10667425 +1  110.6534897 +1  163.4252440 +1     8     1     2
  H     1.10995146 +1  110.4787697 +1 -116.0511405 +1     8     1    19