PM7 Accuracy

2-adamantol    890 2-Adamantol

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    #  Species Formula
   880 3-Methyl-5-isopropylphenolC10H14O
   881 4-Isopropyl-2-methylphenolC10H14O
   882 4-Isopropyl-3-methylphenolC10H14O
   883 4-Methyl-3-isopropylphenolC10H14O
   884 m-tert-ButylphenolC10H14O
   885 o-sec-ButylphenolC10H14O
   886 o-tert-ButylphenolC10H14O
   887 p-sec-ButylphenolC10H14O
   888 p-tert-Butyl phenolC10H14O
   889 1-AdamantolC10H16O
   890 2-Adamantol C10H16O
   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 CyclodecanoneC10H18O
   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


DHf: -71.5 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
2-Adamantol
 H=-71.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53757590  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53909411  1  109.5815597  1    0.0000000  0     2     1     0
  C     1.54167321  1  109.5881908  1   59.7086820  1     3     2     1
  C     1.54037513  1  109.3330507  1  -59.8612012  1     4     3     2
  C     1.54042963  1  109.5961252  1   60.0923524  1     5     4     3
  C     1.54408547  1  110.2707674  1  118.5123361  1     2     1     3
  C     1.54011335  1  109.3248707  1   59.9882004  1     6     5     4
  C     1.54169735  1  109.7547198  1  119.9156281  1     4     3     5
  C     1.53766518  1  109.7302338  1  -59.7892629  1     8     6     5
  H     1.10367828  1  110.5929863  1  177.9928773  1     1     2     3
  H     1.10492165  1  109.9786652  1 -116.4585788  1     1     2    11
  H     1.11204404  1  109.6812978  1  120.2506682  1     2     1     7
  H     1.10386582  1  110.4794559  1  121.7904105  1     3     2     4
  H     1.10410710  1  110.1259419  1  116.8856628  1     3     2    14
  H     1.11224504  1  109.4425273  1  120.1108175  1     4     3     9
  H     1.10368594  1  110.2367138  1 -121.5039333  1     5     4     6
  H     1.10368546  1  110.2451914  1 -116.9816838  1     5     4    17
  H     1.11238463  1  109.4946619  1  120.0119560  1     6     5     8
  O     1.40763677  1  111.0417994  1   65.9923706  1     7     2     1
  H     1.11320893  1  111.3573023  1  112.4775632  1     7     2    20
  H     1.10365083  1  110.6069737  1 -122.2827538  1     8     6    10
  H     1.10493559  1  110.1123066  1 -116.5470378  1     8     6    22
  H     1.10411322  1  110.1466055  1  178.6480926  1     9     4     3
  H     1.10387169  1  110.3425637  1 -116.8331575  1     9     4    24
  H     1.11209664  1  109.6653668  1 -179.0172697  1    10     8     6
  H     0.97643225  1  111.4177270  1  -61.4657698  1    20     7     2