PM7 Accuracy

1,2,3,4-tetrahydrophenanthrene    342 1,2,3,4-Tetrahydrophenanthrene

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    #  Species Formula
   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 OctaleneC14H12
   341 StilbeneC14H12
   342 1,2,3,4-Tetrahydrophenanthrene C14H14
   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
   351 CyclotetradecaneC14H28
   352 n-NonylcyclopentaneC14H28


DHf: 22.1 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
1,2,3,4-Tetrahydrophenanthrene
 H=22.07 HR=NIST
  C    -0.00322382  1  -0.00975764  1  -0.02972326  1
  C     1.46868663  1   0.15229881  1  -0.42909371  1
  C     2.08240196  1   1.33056090  1   0.32945511  1
  C     1.37907102  1   2.62603015  1  -0.08957716  1
  C    -0.11463337  1   2.49844427  1  -0.07694071  1
  C    -0.76201837  1   1.28375559  1  -0.05531346  1
  C    -2.19271344  1   1.24108766  1  -0.03685760  1
  C    -2.92160347  1   2.44962944  1  -0.08657334  1
  C    -2.22558679  1   3.68912443  1  -0.12669118  1
  C    -0.85881115  1   3.70949260  1  -0.11385759  1
  C    -4.34320631  1   2.42014510  1  -0.08965510  1
  C    -5.01423745  1   1.22679832  1  -0.02904847  1
  C    -4.29080633  1   0.01193119  1   0.04117858  1
  C    -2.91932784  1   0.01936216  1   0.03658302  1
  H    -0.06744291  1  -0.44214297  1   0.99248817  1
  H    -0.47803520  1  -0.75020822  1  -0.70774801  1
  H     1.54876504  1   0.31921313  1  -1.52025729  1
  H     2.02473060  1  -0.77924848  1  -0.22038436  1
  H     3.16634670  1   1.40174766  1   0.13160613  1
  H     1.97838391  1   1.17653644  1   1.42031163  1
  H     1.70481078  1   2.91705311  1  -1.11185051  1
  H     1.70082172  1   3.45422504  1   0.57489936  1
  H    -2.80078077  1   4.61243435  1  -0.16321053  1
  H    -0.31883862  1   4.65480878  1  -0.13473199  1
  H    -4.88490873  1   3.36286960  1  -0.14051047  1
  H    -6.10122966  1   1.19519532  1  -0.03162614  1
  H    -4.84152399  1  -0.92484813  1   0.09961784  1
  H    -2.37298454  1  -0.92033434  1   0.09573565  1