Accuracy

4-isopropyl-2-methylphenol    878 4-Isopropyl-2-methylphenol

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    #  Species Formula
   868 Butyl 1,1-dimethylpropyl etherC9H20O
   869 4-Phenyl-3-buten-2-oneC10H10O
   870 2-AdamantoneC10H14O
   871 2-Isopropyl-4-methylphenolC10H14O
   872 2-Isopropyl-5-methylphenolC10H14O
   873 2-Isopropyl-6-methylphenolC10H14O
   874 2-Methyl-5-isopropylphenolC10H14O
   875 3-Isopropyl-2-methylphenolC10H14O
   876 3-Methyl-2-isopropylphenolC10H14O
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenol C10H14O
   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-AdamantolC10H16O
   888 CamphorC10H16O


ΔHf: -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