Accuracy

2-adamantol    887 2-Adamantol

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    #  Species Formula
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenolC10H14O
   879 4-Isopropyl-3-methylphenolC10H14O
   880 4-Methyl-3-isopropylphenolC10H14O
   881 m-tert-ButylphenolC10H14O
   882 o-sec-ButylphenolC10H14O
   883 o-tert-ButylphenolC10H14O
   884 p-sec-ButylphenolC10H14O
   885 p-tert-Butyl phenolC10H14O
   886 1-AdamantolC10H16O
   887 2-Adamantol C10H16O
   888 CamphorC10H16O
   889 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O
   890 Octahydro-3a-methyl-trans-2H-inden-2-oneC10H16O
   891 Beta-caran-3-olC10H18O
   892 CyclodecanoneC10H18O
   893 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   894 DecanolC10H22O
   895 Dipentyl etherC10H22O
   896 2,4,5-Trimethyl-acetophenoneC11H14O
   897 2,4,6-Trimethyl-acetophenoneC11H14O


ΔHf: -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