PM7 Accuracy

1-adamantol    889 1-Adamantol

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    #  Species Formula
   879 3-Methyl-2-isopropylphenolC10H14O
   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-Adamantol C10H16O
   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 CyclodecanoneC10H18O
   896 2,2,5,5-Tetramethyl-3-hexanoneC10H20O
   897 DecanolC10H22O
   898 Dipentyl etherC10H22O
   899 2,4,5-Trimethyl-acetophenoneC11H14O


DHf: -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