PM7 Accuracy

2,4-dimethyl phenol    814 2,4-Dimethyl phenol

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    #  Species Formula
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O
   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 phenol C8H10O
   815 2,5-Dimethyl phenolC8H10O
   816 2,6-Dimethyl phenolC8H10O
   817 2-Ethyl phenolC8H10O
   818 3,4-Dimethyl phenolC8H10O
   819 3,5-Dimethyl phenolC8H10O
   820 3-Ethyl phenolC8H10O
   821 4-Ethyl phenolC8H10O
   822 Benzyl alcoholC8H10O
   823 EthoxybenzeneC8H10O
   824 PhenetoleC8H10O


DHf: -39.0 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
2,4-Dimethyl phenol
 H=-38.95 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36123196  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39847075  1  123.5618070  1    0.0000000  0     2     1     0
  C     1.39719128  1  117.8830758  1 -179.9675637  1     3     2     1
  C     1.39388393  1  120.9387143  1    0.0094561  1     4     3     2
  C     1.40041647  1  119.9313209  1   -0.0184753  1     5     4     3
  C     1.38734646  1  120.3388635  1    0.0077428  1     6     5     4
  C     1.48897741  1  122.3069670  1  179.9826362  1     3     2     4
  H     1.08859692  1  119.2433830  1  179.9947445  1     4     3     5
  H     0.98896341  1  112.0541884  1   -0.0066517  1     1     2     3
  C     1.49158169  1  120.5792950  1  179.9805138  1     5     4     6
  H     1.08854215  1  119.7908562  1  179.9932381  1     6     5     7
  H     1.08753343  1  121.6619807  1 -179.9982598  1     7     6     5
  H     1.10162106  1  111.1309605  1  120.4761484  1     8     3     2
  H     1.10171855  1  111.1022053  1  119.1559299  1     8     3    14
  H     1.09810758  1  113.7442300  1  120.3508773  1     8     3    15
  H     1.09996121  1  111.2759074  1  120.5800841  1    11     5     4
  H     1.09997453  1  111.2449625  1  119.5857351  1    11     5    17
  H     1.09765890  1  112.7844206  1  120.2057159  1    11     5    18