PM7 Accuracy

3,5-dimethyl phenol    819 3,5-Dimethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   819 3,5-Dimethyl phenol C8H10O
   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
   829 Bicyclo[3.2.1]octan-8-oneC8H12O


DHf: -38.6 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
3,5-Dimethyl phenol
 H=-38.63 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.35913894  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39825593  1  115.1061291  1    0.0000000  0     2     1     0
  C     1.39175313  1  118.0736284  1  179.9987295  1     3     2     1
  C     1.40089258  1  120.2674084  1   -0.0104320  1     4     3     2
  C     1.39410098  1  120.5339300  1    0.0130571  1     5     4     3
  C     1.39380131  1  122.0555596  1 -179.9989832  1     2     1     3
  C     1.49139810  1  120.3233750  1  179.9703754  1     4     3     5
  C     1.49167342  1  120.5355962  1  179.9969647  1     6     5     4
  H     0.98680805  1  112.1974153  1  179.9973516  1     1     2     3
  H     1.08503733  1  119.8671098  1  179.9950750  1     3     2     4
  H     1.08540217  1  119.4655727  1  179.9969774  1     5     4     6
  H     1.08193559  1  121.2623311  1   -0.0028306  1     7     2     1
  H     1.10036357  1  111.1278945  1 -119.7548163  1     8     4     3
  H     1.10028341  1  111.1863270  1 -119.3386303  1     8     4    14
  H     1.09841110  1  112.7986789  1 -120.3566909  1     8     4    15
  H     1.10031154  1  111.1858481  1  120.5137587  1     9     6     5
  H     1.10027944  1  111.1763982  1  119.3702178  1     9     6    17
  H     1.09801301  1  112.8328132  1  120.3249974  1     9     6    18