PM7 Accuracy

cyclodecanone    895 Cyclodecanone

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    #  Species Formula
   885 o-sec-ButylphenolC10H14O
   886 o-tert-ButylphenolC10H14O
   887 p-sec-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-AdamantolC10H16O
   891 CamphorC10H16O
   892 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   893 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   894 Beta-caran-3-olC10H18O
   895 Cyclodecanone C10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O
   900 2,4,6-Trimethyl-acetophenoneC11H14O
   901 2-tert-Butyl-p-cresolC11H16O
   902 3-Methyl-2-phenylbutane-2-olC11H16O
   903 CycloundecanoneC11H20O
   904 2,2,6,6-Tetramethyl-4-heptanoneC11H22O
   905 Dipentyl ketoneC11H22O


DHf: -72.9 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
Cyclodecanone
 H=-72.9 HR=NIST
  C     0.04596066  1   0.10087733  1   0.04423056  1
  C     1.51444036  1  -0.19054014  1  -0.29858756  1
  C     2.34344070  1   1.08532256  1  -0.50935829  1
  C     2.10341349  1   1.72473282  1  -1.88667872  1
  C     1.76701929  1   3.21956210  1  -1.77959852  1
  C     1.02572893  1   3.72639207  1  -3.02678540  1
  C    -0.49860849  1   3.80057905  1  -2.84248611  1
  C    -1.17921610  1   2.42760923  1  -2.73930902  1
  C    -1.23793186  1   1.89590291  1  -1.29799119  1
  C    -0.71065785  1   0.48467322  1  -1.20773835  1
  O    -0.89536875  1  -0.32023809  1  -2.08704807  1
  H    -0.42205129  1  -0.80897750  1   0.47598560  1
  H    -0.02248520  1   0.87787867  1   0.82517317  1
  H     1.56673499  1  -0.83640625  1  -1.19900567  1
  H     1.96413612  1  -0.78670348  1   0.51983939  1
  H     3.41843340  1   0.84427864  1  -0.39889489  1
  H     2.12608019  1   1.80634532  1   0.30015955  1
  H     2.99312343  1   1.58784593  1  -2.52832660  1
  H     1.28975376  1   1.19604482  1  -2.42070455  1
  H     2.69867897  1   3.79660822  1  -1.63344089  1
  H     1.15824339  1   3.41555058  1  -0.87733046  1
  H     1.40151628  1   4.73545231  1  -3.28783684  1
  H     1.26782177  1   3.09209596  1  -3.90024009  1
  H    -0.92856302  1   4.34722915  1  -3.70649395  1
  H    -0.74240476  1   4.41688321  1  -1.95784029  1
  H    -2.20678998  1   2.49033296  1  -3.14731296  1
  H    -0.66348411  1   1.70157209  1  -3.40102716  1
  H    -2.28408858  1   1.90647766  1  -0.92976281  1
  H    -0.67726296  1   2.56459573  1  -0.61690921  1