PM7 Accuracy

1,4,5,8-tetramethynaphthalene    346 1,4,5,8-Tetramethynaphthalene

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    #  Species Formula
   336 DiphenylethyneC14H10
   337 PhenanthreneC14H10
   338 9,10-Dihydro-phenanthreneC14H12
   339 9-Methyl-9H-fluoreneC14H12
   340 OctaleneC14H12
   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-Tetramethynaphthalene C14H16
   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
   351 CyclotetradecaneC14H28
   352 n-NonylcyclopentaneC14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30


DHf: 19.5 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
1,4,5,8-Tetramethynaphthalene
 H=19.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  H     1.09898505  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09905655  1  109.1310633  1    0.0000000  0     1     2     0
  H     1.10048001  1  105.8170624  1 -113.5660157  1     1     2     3
  C     2.41982170  1  123.0645974  1  -89.6917833  1     1     2     4
  C     1.37511493  1   34.1376797  1  -76.9426865  1     5     1     2
  C     1.43300923  1  120.4585059  1  179.9221759  1     6     5     1
  C     1.43320933  1  118.7399517  1   -0.0798517  1     7     6     5
  C     1.43304188  1  118.7466133  1    0.3695423  1     8     7     6
  C     1.37520258  1  120.4418816  1   -0.4135571  1     9     8     7
  C     1.43307845  1  118.7201079  1 -179.9715611  1     8     7     9
  C     1.37513792  1  120.4651873  1   -0.3680643  1    11     8     7
  C     1.40316223  1  120.8055515  1    0.1008955  1    12    11     8
  C     1.37507925  1  120.7998050  1    0.1519625  1    13    12    11
  H     1.08932896  1   86.7488852  1  179.9814117  1     5     1     6
  H     2.15959316  1  108.1053357  1  154.3157421  1     9     8    10
  H     1.78995810  1   65.4871950  1   99.3334909  1    16     9     8
  H     1.75486328  1   66.2779531  1   65.6999095  1    16     9    17
  H     1.93593009  1   89.9635129  1  -98.1203583  1    17    16     9
  H     1.93118486  1   97.9174519  1 -152.1249608  1    16     9    18
  H     1.75561685  1  148.9316202  1   55.0193300  1    20    16     9
  H     1.91725930  1  114.1529006  1   51.6468760  1     3     1     2
  C     1.10051553  1   37.0354201  1  -36.3581175  1    18    16     9
  H     1.08936432  1  120.8607050  1 -179.8670569  1    10     9     8
  C     1.10046168  1   37.0133103  1  -26.9606697  1    21    20    16
  H     1.08935617  1  120.8805291  1  179.9699932  1    12    11    13
  H     1.08936042  1  118.3265603  1  179.9403313  1    13    12    14
  C     1.09890427  1  114.5840022  1   -0.1710452  1    22     3     1
  H     1.09911597  1  109.0074239  1  -51.5059796  1    28    22     3
  H     1.10034679  1  105.9611513  1 -113.6175529  1    28    22    29