Accuracy

ethoxybenzene    820 Ethoxybenzene

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    #  Species Formula
   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 phenolC8H10O
   819 Benzyl alcoholC8H10O
   820 Ethoxybenzene C8H10O
   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
   829 3-Oxabicyclo[3,2,2]nonaneC8H14O
   830 6-Methyl-5-hepten-2-oneC8H14O


ΔHf: -24.3 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
Ethoxybenzene
 H=-24.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39116338 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39518890 +1  120.7322456 +1    0.0000000 +0     2     1     0
  C     1.39470167 +1  118.4324036 +1    0.0245335 +1     3     2     1
  C     1.40581844 +1  121.6618092 +1    0.0178917 +1     4     3     2
  C     1.38661689 +1  118.7022049 +1   -0.0172659 +1     5     4     3
  O     1.35607454 +1  125.6370452 +1 -179.9446743 +1     4     3     5
  C     1.43215238 +1  117.6279270 +1   -0.0448384 +1     7     4     3
  C     1.52196419 +1  103.3557664 +1 -179.9512444 +1     8     7     4
  H     1.08601152 +1  120.1537571 +1  179.9930705 +1     1     2     3
  H     1.08963286 +1  119.8720791 +1 -179.9964955 +1     2     1     3
  H     1.08282447 +1  119.8781643 +1 -179.9959806 +1     3     2     4
  H     1.08631418 +1  119.6255588 +1 -179.9995555 +1     5     4     6
  H     1.08977458 +1  119.7996015 +1  179.9905146 +1     6     5     4
  H     1.10409292 +1  109.1329560 +1  119.7556424 +1     8     7     9
  H     1.10413885 +1  109.1129937 +1  120.5163171 +1     8     7    15
  H     1.09847358 +1  111.2121494 +1  -60.2317396 +1     9     8     7
  H     1.09862803 +1  111.1679226 +1  118.8511485 +1     9     8    17
  H     1.09500187 +1  111.2582584 +1  120.5754670 +1     9     8    18