Accuracy

2,4-dimethyl phenol    811 2,4-Dimethyl phenol

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    #  Species Formula
   801 HeptanalC7H14O
   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 phenol C8H10O
   812 2,5-Dimethyl phenolC8H10O
   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


ΔHf: -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