PM7 Accuracy

3,4-dimethyl phenol    818 3,4-Dimethyl phenol

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    #  Species Formula
   808 BenzofuranC8H6O
   809 1,3-Dihydro isobenzofuranC8H8O
   810 1-PhenylethenolC8H8O
   811 2,3-Dihydro-benzofuranC8H8O
   812 AcetophenoneC8H8O
   813 2,3-Dimethyl phenolC8H10O
   814 2,4-Dimethyl phenolC8H10O
   815 2,5-Dimethyl phenolC8H10O
   816 2,6-Dimethyl phenolC8H10O
   817 2-Ethyl phenolC8H10O
   818 3,4-Dimethyl phenol C8H10O
   819 3,5-Dimethyl phenolC8H10O
   820 3-Ethyl phenolC8H10O
   821 4-Ethyl phenolC8H10O
   822 Benzyl alcoholC8H10O
   823 EthoxybenzeneC8H10O
   824 PhenetoleC8H10O
   825 1-MethylnorcamphorC8H12O
   826 Bicyclo[2.2.2]octanoneC8H12O
   827 Bicyclo[3.2.1]octan-2-oneC8H12O
   828 Bicyclo[3.2.1]octan-3-oneC8H12O


DHf: -37.4 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
3,4-Dimethyl phenol
 H=-37.44 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.49268049  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40081728  1  117.0636899  1    0.0000000  0     2     1     0
  C     1.39099278  1  119.0431598  1 -179.9924450  1     3     2     1
  C     1.39911937  1  122.2665941  1    0.0016276  1     4     3     2
  C     1.38640952  1  117.8077669  1    0.0159638  1     5     4     3
  C     1.39879078  1  123.1329514  1 -179.9693102  1     2     1     3
  C     1.49282776  1  123.2631892  1   -0.0045065  1     7     2     1
  O     1.36037461  1  122.4726529  1  179.9959787  1     4     3     5
  H     1.10027274  1  111.1057523  1  -59.3444133  1     1     2     3
  H     1.10032750  1  111.0695198  1  119.5007410  1     1     2    10
  H     1.09813750  1  113.4474433  1  120.2127631  1     1     2    11
  H     1.08393318  1  120.1339700  1 -179.9931850  1     3     2     4
  H     1.08583443  1  120.1675409  1 -179.9922285  1     5     4     6
  H     1.09053748  1  119.3344020  1 -179.9975103  1     6     5     4
  H     1.09995909  1  111.1356316  1  119.7095588  1     8     7     2
  H     1.10001413  1  111.1550854  1  119.6816397  1     8     7    16
  H     1.09764364  1  113.4130393  1  120.1148516  1     8     7    17
  H     0.98639816  1  112.0952498  1   -0.0039911  1     9     4     3