Accuracy

4-ethyl phenol    818 4-Ethyl phenol

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    #  Species Formula
   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 phenolC8H10O
   815 3,4-Dimethyl phenolC8H10O
   816 3,5-Dimethyl phenolC8H10O
   817 3-Ethyl phenolC8H10O
   818 4-Ethyl phenol C8H10O
   819 Benzyl alcoholC8H10O
   820 EthoxybenzeneC8H10O
   821 PhenetoleC8H10O
   822 1-MethylnorcamphorC8H12O
   823 Bicyclo[2.2.2]octanoneC8H12O
   824 Bicyclo[3.2.1]octan-2-oneC8H12O
   825 Bicyclo[3.2.1]octan-3-oneC8H12O
   826 Bicyclo[3.2.1]octan-8-oneC8H12O
   827 cis-Bicyclo[3.3.0]-octan-2-oneC8H12O
   828 trans-Bicyclo[3.3.0]-octan-2-oneC8H12O


ΔHf: -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