PM7 Accuracy

2,3-dimethyl phenol    813 2,3-Dimethyl phenol

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    #  Species Formula
   803 4-HeptanoneC7H14O
   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 phenol C8H10O
   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 phenolC8H10O
   820 3-Ethyl phenolC8H10O
   821 4-Ethyl phenolC8H10O
   822 Benzyl alcoholC8H10O
   823 EthoxybenzeneC8H10O


DHf: -37.6 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
2,3-Dimethyl phenol
 H=-37.59 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.35943317  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40034603  1  123.2140259  1    0.0000000  0     2     1     0
  C     1.40192685  1  117.7072571  1  179.8312723  1     3     2     1
  C     1.39686412  1  120.2337837  1    0.0750678  1     4     3     2
  C     1.39447213  1  120.6954535  1   -0.0551412  1     5     4     3
  C     1.38853380  1  120.3195414  1    0.0029292  1     6     5     4
  C     1.48905406  1  121.2876006  1  179.7656579  1     3     2     4
  C     1.49220175  1  120.3857147  1  179.8052792  1     4     3     5
  H     0.98989242  1  112.3496851  1    0.0575592  1     1     2     3
  H     1.08660724  1  119.8014370  1 -179.9994127  1     5     4     6
  H     1.08947997  1  119.8413482  1  179.9885309  1     6     5     7
  H     1.08639358  1  121.8884701  1  179.9996601  1     7     6     5
  H     1.10171213  1  111.1926034  1  117.7171680  1     8     3     2
  H     1.10191166  1  111.1526011  1  119.2879109  1     8     3    14
  H     1.09853989  1  113.7268364  1  120.1135260  1     8     3    15
  H     1.10067793  1  110.9568688  1  -67.8971637  1     9     4     3
  H     1.09966067  1  111.6939202  1  119.8165735  1     9     4    17
  H     1.09843161  1  112.6452332  1  120.3213203  1     9     4    18