Accuracy

2-ethyl phenol    814 2-Ethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   814 2-Ethyl phenol C8H10O
   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
   824 Bicyclo[3.2.1]octan-2-oneC8H12O


ΔHf: -34.7 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-Ethyl phenol
 H=-34.71 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.36242820 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39132727 +1  122.1155981 +1    0.0000000 +0     2     1     0
  C     1.39562026 +1  118.2780606 +1  179.6831846 +1     3     2     1
  C     1.39020396 +1  120.1599152 +1   -0.0923938 +1     4     3     2
  C     1.39881792 +1  120.5027610 +1    0.0849332 +1     5     4     3
  C     1.38974204 +1  120.8999309 +1    0.1696410 +1     6     5     4
  C     1.49487004 +1  124.4201254 +1 -179.5273050 +1     7     6     5
  C     1.52683120 +1  114.6357619 +1  -11.8486624 +1     8     7     6
  H     0.98677934 +1  111.9329543 +1    1.0025216 +1     1     2     3
  H     1.08388782 +1  121.1126767 +1 -179.9857879 +1     3     2     4
  H     1.08875410 +1  119.6627522 +1 -179.9783651 +1     4     3     5
  H     1.08710813 +1  120.0378504 +1 -179.9893364 +1     5     4     6
  H     1.08957357 +1  119.0500586 +1 -179.9676030 +1     6     5     7
  H     1.11363365 +1  108.7531902 +1  123.4508790 +1     8     7     9
  H     1.11497714 +1  109.1138353 +1  113.5011587 +1     8     7    15
  H     1.09635631 +1  111.4428398 +1  -57.0142946 +1     9     8     7
  H     1.09581983 +1  111.7535719 +1  120.9805345 +1     9     8    17
  H     1.09672356 +1  110.8081231 +1  119.5704752 +1     9     8    18