PM7 Accuracy

2-ethyl phenol    817 2-Ethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   817 2-Ethyl phenol C8H10O
   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
   827 Bicyclo[3.2.1]octan-2-oneC8H12O


DHf: -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