Accuracy

1,4,5,8-tetramethynaphthalene    344 1,4,5,8-Tetramethynaphthalene

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


ΔHf: 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