Accuracy

1-adamantol    886 1-Adamantol

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    #  Species Formula
   876 3-Methyl-2-isopropylphenolC10H14O
   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-Adamantol C10H16O
   887 2-AdamantolC10H16O
   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


ΔHf: -74.3 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-Adamantol
 H=-74.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54062154 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54065928 +1  110.3566374 +1    0.0000000 +0     2     1     0
  C     1.53935287 +1  108.0261643 +1   61.8047968 +1     3     2     1
  C     1.54115715 +1  109.4164164 +1  -60.1813730 +1     4     3     2
  C     1.54122233 +1  109.7752888 +1   60.2142277 +1     5     4     3
  C     1.53746916 +1  110.7951048 +1  123.1019814 +1     2     1     3
  C     1.54115413 +1  109.4159766 +1   59.7077804 +1     6     5     4
  C     1.54110276 +1  109.4726807 +1  119.8957257 +1     4     3     5
  C     1.54126566 +1  109.8313950 +1  -59.6358953 +1     8     6     5
  H     1.10397869 +1  109.9372471 +1  177.0240782 +1     1     2     3
  H     1.10146272 +1  110.9403676 +1 -117.2112165 +1     1     2    11
  O     1.41446235 +1  110.0132018 +1  115.3247550 +1     2     1     7
  H     1.10395681 +1  109.9548228 +1  121.1550737 +1     3     2     4
  H     1.10144525 +1  110.9393262 +1  117.2316441 +1     3     2    14
  H     1.11233853 +1  109.4773712 +1  120.0523525 +1     4     3     9
  H     1.10343443 +1  110.2578992 +1 -121.6399558 +1     5     4     6
  H     1.10372555 +1  110.1369578 +1 -116.9360207 +1     5     4    17
  H     1.11227515 +1  109.5364839 +1  120.0533435 +1     6     5     8
  H     1.10399088 +1  110.1458105 +1   60.4713987 +1     7     2     1
  H     1.10404397 +1  110.1305437 +1  116.2999762 +1     7     2    20
  H     1.10392765 +1  110.1728669 +1 -121.4907747 +1     8     6    10
  H     1.10354251 +1  110.1562309 +1 -116.9801865 +1     8     6    22
  H     1.10354032 +1  110.1539593 +1  178.2444246 +1     9     4     3
  H     1.10394203 +1  110.1710976 +1 -116.9732348 +1     9     4    24
  H     1.11236215 +1  109.5301583 +1  179.6805553 +1    10     8     6
  H     0.97220147 +1  111.6060669 +1   60.7635511 +1    13     2     1