PM7 Accuracy

2,6-dimethyl phenol    816 2,6-Dimethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   815 2,5-Dimethyl phenolC8H10O
   816 2,6-Dimethyl phenol C8H10O
   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
   825 1-MethylnorcamphorC8H12O
   826 Bicyclo[2.2.2]octanoneC8H12O


DHf: -38.7 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
2,6-Dimethyl phenol
 H=-38.68 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48928566  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39834639  1  119.7880100  1    0.0000000  0     2     1     0
  C     1.39015395  1  120.6324942  1  179.9782248  1     3     2     1
  C     1.39671176  1  120.4347931  1   -0.0032320  1     4     3     2
  C     1.39057198  1  120.4385028  1    0.0103755  1     5     4     3
  C     1.39675948  1  122.2213590  1 -179.9767648  1     2     1     3
  C     1.48675114  1  122.2684986  1 -179.9891715  1     6     5     4
  O     1.36154975  1  123.3375401  1   -0.0164157  1     7     2     1
  H     1.10162721  1  111.1190168  1  -59.5114907  1     1     2     3
  H     1.10172733  1  111.0888039  1  119.1650917  1     1     2    10
  H     1.09819204  1  113.7683446  1  120.3482863  1     1     2    11
  H     1.08851397  1  119.4381311  1 -179.9933210  1     3     2     4
  H     1.08737890  1  119.9103343  1  179.9944824  1     4     3     5
  H     1.08845208  1  119.7291876  1  179.9936622  1     5     4     6
  H     1.10226643  1  110.9750889  1  120.6447651  1     8     6     5
  H     1.10227317  1  110.9789027  1  117.8255540  1     8     6    16
  H     1.09646507  1  113.0019511  1  121.0894255  1     8     6    17
  H     0.98983828  1  111.8485599  1    0.0158712  1     9     7     2