Accuracy

o-cresol    787 o-Cresol

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    #  Species Formula
   777 t-Butyl methyl etherC5H12O
   778 Phenoxy, anionC6H5O
   779 PhenolC6H6O
   780 4-Methyl-3-penten-2-oneC6H10O
   781 CyclohexanoneC6H10O
   782 Methyl neopentyl ketoneC6H12O
   783 Di-isopropyl etherC6H14O
   784 BenzaldehydeC7H6O
   785 AnisoleC7H8O
   786 m-CresolC7H8O
   787 o-Cresol C7H8O
   788 p-CresolC7H8O
   789 2-Methyl-5-hexen-3-yn-2-olC7H10O
   790 2-NorbornanoneC7H10O
   791 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   792 Norbornan-7-oneC7H10O
   793 1-Methoxy cyclohexeneC7H12O
   794 Bicyclo[2.2.1]heptan-7-olC7H12O
   795 cis-1,2-EpoxycycloheptaneC7H12O
   796 CycloheptanoneC7H12O
   797 2,4-Dimethyl 3-pentanoneC7H14O


ΔHf: -30.7 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
o-Cresol
 H=-30.67 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39783261 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39047819 +1  120.7266488 +1    0.0000000 +0     2     1     0
  C     1.40638214 +1  117.6646572 +1    0.0294632 +1     3     2     1
  C     1.39244557 +1  122.5560020 +1    0.0066406 +1     4     3     2
  C     1.39110291 +1  120.4169904 +1   -0.0185511 +1     1     2     3
  C     1.48609908 +1  122.5135093 +1 -179.9748071 +1     3     2     4
  O     1.36152945 +1  115.1681283 +1 -179.9983474 +1     4     3     5
  H     1.08702379 +1  119.5855191 +1  179.9958542 +1     1     2     6
  H     1.08922108 +1  119.5147254 +1  179.9988409 +1     2     1     3
  H     1.08397605 +1  121.0434258 +1  179.9861120 +1     5     4     3
  H     1.08880526 +1  120.1100323 +1  179.9937857 +1     6     1     2
  H     1.10234294 +1  110.9822405 +1  120.5986274 +1     7     3     2
  H     1.10239420 +1  110.9949806 +1  117.8723201 +1     7     3    13
  H     1.09651986 +1  113.0138556 +1  121.0744306 +1     7     3    14
  H     0.98707502 +1  111.8347331 +1 -179.9789834 +1     8     4     3