PM7 Accuracy

4-ethyl phenol    821 4-Ethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   821 4-Ethyl phenol C8H10O
   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
   831 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O


DHf: -34.5 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
4-Ethyl phenol
 H=-34.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53179494  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.49811458  1  110.1379888  1    0.0000000  0     2     1     0
  C     1.39570884  1  120.0816927  1  -87.9942273  1     3     2     1
  C     1.39312123  1  120.5934057  1  179.3464686  1     4     3     2
  C     1.39474828  1  118.2459945  1   -0.0906350  1     5     4     3
  C     1.39897827  1  122.3686078  1   -0.0757022  1     6     5     4
  C     1.38854991  1  118.2515620  1    0.1532498  1     7     6     5
  O     1.36054985  1  122.4870820  1 -179.9389378  1     6     5     7
  H     1.09645747  1  111.2246402  1  -59.4245315  1     1     2     3
  H     1.09620441  1  111.2702993  1  119.4463173  1     1     2    10
  H     1.09472282  1  111.3552337  1  120.2962000  1     1     2    11
  H     1.10882384  1  109.8893670  1  122.5149091  1     2     1     3
  H     1.10888241  1  109.9040689  1  115.1181966  1     2     1    13
  H     1.08918358  1  119.8399618  1 -179.9484141  1     4     3     5
  H     1.08380892  1  120.6162085  1  179.9961802  1     5     4     6
  H     1.08669928  1  119.9400246  1  179.9282331  1     7     6     8
  H     1.08950277  1  119.6764515  1 -179.9339442  1     8     7     6
  H     0.98639994  1  112.1157980  1    0.0185402  1     9     6     5