Accuracy

octalene    338 Octalene

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    #  Species Formula
   328 TributylboraneH27BC12
   329 FluoreneC13H10
   330 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   331 Tri-t-butylmethaneC13H28
   332 TridecaneC13H28
   333 AnthraceneC14H10
   334 DiphenylethyneC14H10
   335 PhenanthreneC14H10
   336 9,10-Dihydro-phenanthreneC14H12
   337 9-Methyl-9H-fluoreneC14H12
   338 Octalene C14H12
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   342 BibenzylC14H14
   343 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   344 1,4,5,8-TetramethynaphthaleneC14H16
   345 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   346 DiadamantaneC14H20
   347 1,3,5,7-TetramethyladamantaneC14H24
   348 (E)-3,4-Di-tert-butyl-3-hexeneC14H28


ΔHf: 131.8 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
Octalene
 H=131.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47039949 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.34685244 +1  121.7489925 +1    0.0000000 +0     1     2     0
  C     1.45973870 +1  124.9891000 +1    1.3925282 +1     3     1     2
  C     1.33862168 +1  124.5057659 +1   63.0515792 +1     4     3     1
  C     1.46150126 +1  124.2664423 +1   -1.6223371 +1     5     4     3
  C     1.33836254 +1  123.7115880 +1  -61.4844168 +1     6     5     4
  C     1.34020957 +1  124.4952560 +1  -63.4839174 +1     2     1     3
  C     1.46175017 +1  118.5668854 +1  119.3082367 +1     1     2     8
  C     1.34142398 +1  129.1759132 +1  -18.9770004 +1     9     1     2
  C     1.45678061 +1  130.1029296 +1    0.1456248 +1    10     9     1
  C     1.33936709 +1  126.6457816 +1   58.2575226 +1    11    10     9
  C     1.46025352 +1  124.8376789 +1   -6.7945042 +1    12    11    10
  C     1.47089015 +1  113.7152350 +1  118.0894881 +1     2     1     3
  H     1.09347090 +1  121.1216631 +1 -177.7875533 +1     3     1     2
  H     1.09305288 +1  114.2186286 +1 -118.8216677 +1     4     3     1
  H     1.09256129 +1  121.2478540 +1  177.7095354 +1     5     4     3
  H     1.09158946 +1  114.7611397 +1  119.4578506 +1     6     5     4
  H     1.09232506 +1  121.5901378 +1 -179.0532561 +1     7     6     5
  H     1.09233598 +1  121.0963492 +1 -179.0108919 +1     8     2     1
  H     1.09948741 +1  113.0954011 +1  162.4103591 +1     9     1     2
  H     1.10106834 +1  118.1703561 +1 -178.5610528 +1    10     9     1
  H     1.09627493 +1  113.2297253 +1 -125.7583191 +1    11    10     9
  H     1.09334057 +1  120.7961810 +1  174.3771080 +1    12    11    10
  H     1.08909402 +1  116.0997068 +1  123.2881414 +1    13    12    11
  H     1.08793139 +1  115.6377359 +1  -85.6710664 +1    14     2     1