Accuracy

1,2,3,4-tetrahydrophenanthrene    340 1,2,3,4-Tetrahydrophenanthrene

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    #  Species Formula
   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 OctaleneC14H12
   339 StilbeneC14H12
   340 1,2,3,4-Tetrahydrophenanthrene C14H14
   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
   349 CyclotetradecaneC14H28
   350 n-NonylcyclopentaneC14H28


ΔHf: 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