PM7 Accuracy

4-isopropyl-2-methylphenol    881 4-Isopropyl-2-methylphenol

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    #  Species Formula
   871 Butyl 1,1-dimethylpropyl etherC9H20O
   872 4-Phenyl-3-buten-2-oneC10H10O
   873 2-AdamantoneC10H14O
   874 2-Isopropyl-4-methylphenolC10H14O
   875 2-Isopropyl-5-methylphenolC10H14O
   876 2-Isopropyl-6-methylphenolC10H14O
   877 2-Methyl-5-isopropylphenolC10H14O
   878 3-Isopropyl-2-methylphenolC10H14O
   879 3-Methyl-2-isopropylphenolC10H14O
   880 3-Methyl-5-isopropylphenolC10H14O
   881 4-Isopropyl-2-methylphenol C10H14O
   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-AdamantolC10H16O
   891 CamphorC10H16O


DHf: -49.4 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
4-Isopropyl-2-methylphenol
 H=-49.42 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39357562  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40099917  1  117.8604919  1    0.0000000  0     2     1     0
  C     1.39641166  1  122.1604983  1   -0.0121235  1     3     2     1
  C     1.38995490  1  118.6580185  1    0.0109787  1     4     3     2
  C     1.39661411  1  121.0712804  1    0.0002157  1     1     2     3
  C     2.49905237  1   98.8938926  1  150.6173456  1     6     1     2
  C     2.49152601  1  101.6895753  1   61.8749936  1     6     1     7
  H     1.08925196  1  119.4776030  1 -179.9338421  1     1     2     6
  O     1.36119529  1  123.1767107  1  179.9994783  1     3     2     4
  H     1.09633224  1   88.4905341  1  -95.2592239  1     7     6     1
  C     1.48903033  1  121.0711426  1  179.9832217  1     2     1     3
  H     1.08721782  1  119.7505061  1  179.9978372  1     4     3     5
  C     1.53503267  1   34.5974071  1 -127.3940970  1     8     6     1
  H     1.09472227  1   96.1792796  1  107.2511434  1     7     6    11
  H     1.09486619  1  144.9438863  1  133.0598433  1     7     6    15
  H     1.09502359  1   93.8538164  1  123.6702788  1     8     6    14
  H     1.09615234  1   90.1049239  1  107.3897293  1     8     6    17
  H     1.09472732  1  145.6323711  1  123.1044523  1     8     6    18
  H     1.10026042  1  111.7024105  1  119.5732945  1    12     2     1
  H     1.10018269  1  112.1684749  1 -119.2330438  1    12     2    20
  H     1.10031753  1  111.6827360  1 -119.2350837  1    12     2    21
  H     1.12060785  1  108.0454750  1 -119.4085509  1    14     8     6
  H     0.98609630  1  112.2908627  1   -0.0000396  1    10     3     2
  H     1.08905041  1  119.4439829  1  179.9870772  1     5     4     3