Accuracy

2,6-dimethyl phenol    813 2,6-Dimethyl phenol

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    #  Species Formula
   803 n-HeptanolC7H16O
   804 t-Butyl isopropyl etherC7H16O
   805 BenzofuranC8H6O
   806 1,3-Dihydro isobenzofuranC8H8O
   807 1-PhenylethenolC8H8O
   808 2,3-Dihydro-benzofuranC8H8O
   809 AcetophenoneC8H8O
   810 2,3-Dimethyl phenolC8H10O
   811 2,4-Dimethyl phenolC8H10O
   812 2,5-Dimethyl phenolC8H10O
   813 2,6-Dimethyl phenol C8H10O
   814 2-Ethyl phenolC8H10O
   815 3,4-Dimethyl phenolC8H10O
   816 3,5-Dimethyl phenolC8H10O
   817 3-Ethyl phenolC8H10O
   818 4-Ethyl phenolC8H10O
   819 Benzyl alcoholC8H10O
   820 EthoxybenzeneC8H10O
   821 PhenetoleC8H10O
   822 1-MethylnorcamphorC8H12O
   823 Bicyclo[2.2.2]octanoneC8H12O


ΔHf: -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