Accuracy

3-methyladamantane    357 3-Methyladamantane

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    #  Species Formula
   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
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-Methyladamantane C15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16


ΔHf: -37.6 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
3-Methyladamantane
 H=-37.60 HR=NIST
  C    -0.00377701 +1  -0.00548593 +1   0.01104955 +1
  C     1.53986149 +1  -0.04300970 +1   0.04560741 +1
  C     2.08404429 +1   1.40298203 +1   0.01203854 +1
  C     1.62031988 +1   2.08676345 +1  -1.29372150 +1
  C     0.07518493 +1   2.12562036 +1  -1.32438229 +1
  C    -0.46976313 +1   0.67719701 +1  -1.29336147 +1
  H    -0.39921887 +1  -1.04412697 +1   0.04731072 +1
  C    -0.53062589 +1   0.78026245 +1   1.22509444 +1
  C     2.06380079 +1  -0.82277202 +1  -1.17152826 +1
  H     1.87686050 +1  -0.54223975 +1   0.98001820 +1
  H     3.19509758 +1   1.37999922 +1   0.04257969 +1
  C     1.55338686 +1   2.18522143 +1   1.22575452 +1
  H     2.01505855 +1   3.12554071 +1  -1.32677833 +1
  C     2.14943907 +1   1.29809868 +1  -2.50447119 +1
  H    -0.26259363 +1   2.62704820 +1  -2.25781230 +1
  C    -0.44953979 +1   2.90664770 +1  -0.10833563 +1
  H    -1.58062013 +1   0.69973755 +1  -1.31784691 +1
  C     0.05457756 +1  -0.07083931 +1  -2.53804255 +1
  C     0.01468052 +1   2.21930904 +1   1.18883073 +1
  H    -1.63437947 +1   0.79021646 +1   1.22122779 +1
  H    -0.22824832 +1   0.28065932 +1   2.16113482 +1
  C     1.59696333 +1  -0.14087889 +1  -2.46900703 +1
  H     1.70894346 +1  -1.86721605 +1  -1.13735147 +1
  H     3.16663449 +1  -0.87263557 +1  -1.14555204 +1
  H     1.95799851 +1   3.21210755 +1   1.22336082 +1
  H     1.90247650 +1   1.71708343 +1   2.16247350 +1
  H     1.85741822 +1   1.79853331 +1  -3.44351790 +1
  H     3.25309403 +1   1.28196275 +1  -2.49446709 +1
  H    -0.08656999 +1   3.94843681 +1  -0.13924465 +1
  H    -1.55171033 +1   2.96108331 +1  -0.13774450 +1
  H    -0.22439611 +1   0.52531331 +1  -3.44267753 +1
  C    -0.57880668 +1  -1.45622804 +1  -2.68312184 +1
  H    -0.36644896 +1   2.78468473 +1   2.06725672 +1
  H     1.98016400 +1  -0.70982231 +1  -3.34457644 +1
  H    -0.22353122 +1  -1.95873101 +1  -3.58929099 +1
  H    -0.34263817 +1  -2.10594354 +1  -1.83368905 +1
  H    -1.67012277 +1  -1.38524630 +1  -2.74728595 +1