PM7 Accuracy

3-ethyl phenol    820 3-Ethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   818 3,4-Dimethyl phenolC8H10O
   819 3,5-Dimethyl phenolC8H10O
   820 3-Ethyl phenol C8H10O
   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
   828 Bicyclo[3.2.1]octan-3-oneC8H12O
   829 Bicyclo[3.2.1]octan-8-oneC8H12O
   830 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O


DHf: -34.9 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
3-Ethyl phenol
 H=-34.94 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53124411  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49892833  1  109.7028677  1    0.0000000  0     2     1     0
  C     1.39217241  1  119.8670573  1  -90.0031468  1     3     2     1
  C     1.39790255  1  118.2934773  1  179.2189440  1     4     3     2
  C     1.39546943  1  122.6506949  1    0.0227563  1     5     4     3
  C     1.39407644  1  117.9055617  1   -0.0671919  1     6     5     4
  C     1.39159167  1  120.6780663  1    0.1028340  1     7     6     5
  O     1.35939328  1  115.0231960  1 -179.9860539  1     5     4     6
  H     1.09652232  1  111.3262962  1  -59.4669446  1     1     2     3
  H     1.09700488  1  111.2528559  1  119.5528177  1     1     2    10
  H     1.09504169  1  111.2843877  1  120.1775921  1     1     2    11
  H     1.10885353  1  110.0344138  1  122.3263302  1     2     1     3
  H     1.10931079  1  109.9553658  1  115.4579147  1     2     1    13
  H     1.08594935  1  121.8129372  1 -179.8422256  1     4     3     5
  H     1.08271358  1  121.2832749  1 -179.9531640  1     6     5     7
  H     1.08997652  1  119.5229903  1  179.9463530  1     7     6     8
  H     1.08620534  1  119.9281366  1 -179.9062542  1     8     7     6
  H     0.98676345  1  112.2281334  1 -179.9140517  1     9     5     4