PM7 Accuracy

octalene    340 Octalene

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    #  Species Formula
   330 TributylboraneH27BC12
   331 FluoreneC13H10
   332 o-Methyl bipheny (Torsion angle) (Geo)C13H12
   333 Tri-t-butylmethaneC13H28
   334 TridecaneC13H28
   335 AnthraceneC14H10
   336 DiphenylethyneC14H10
   337 PhenanthreneC14H10
   338 9,10-Dihydro-phenanthreneC14H12
   339 9-Methyl-9H-fluoreneC14H12
   340 Octalene C14H12
   341 StilbeneC14H12
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-DimethylbiphenylC14H14
   344 BibenzylC14H14
   345 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   346 1,4,5,8-TetramethynaphthaleneC14H16
   347 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   348 DiadamantaneC14H20
   349 1,3,5,7-TetramethyladamantaneC14H24
   350 (E)-3,4-Di-tert-butyl-3-hexeneC14H28


DHf: 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