Accuracy

2,5-dimethyl phenol    812 2,5-Dimethyl phenol

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    #  Species Formula
   802 t-Butyl ethyl ketoneC7H14O
   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 phenol C8H10O
   813 2,6-Dimethyl phenolC8H10O
   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


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
2,5-Dimethyl phenol
 H=-38.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39944298 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39735051 +1  117.5307464 +1    0.0000000 +0     2     1     0
  C     1.39017356 +1  121.0063909 +1   -0.0133845 +1     3     2     1
  C     1.40092986 +1  120.4255883 +1    0.0146461 +1     4     3     2
  C     1.39129313 +1  119.8019903 +1   -0.0089186 +1     5     4     3
  O     1.35952436 +1  123.2970733 +1 -179.9873893 +1     1     2     3
  C     1.48863211 +1  122.4206188 +1  179.9887932 +1     2     1     3
  C     1.49099456 +1  119.6794981 +1 -179.9687934 +1     5     4     6
  H     1.08955869 +1  119.3642744 +1 -179.9935736 +1     3     2     4
  H     1.08629784 +1  119.8570156 +1  179.9994368 +1     4     3     5
  H     1.08659809 +1  121.7824123 +1  179.9895621 +1     6     5     4
  H     0.98981234 +1  112.1532146 +1   -0.1015406 +1     7     1     2
  H     1.10142081 +1  111.1771100 +1  120.5920538 +1     8     2     1
  H     1.10158963 +1  111.1465241 +1  119.2670825 +1     8     2    14
  H     1.09816228 +1  113.6809152 +1  120.2886835 +1     8     2    15
  H     1.10021159 +1  111.1929370 +1   59.6995180 +1     9     5     4
  H     1.10023913 +1  111.1993990 +1 -119.4228907 +1     9     5    17
  H     1.09836212 +1  112.7794482 +1 -120.2836722 +1     9     5    18