Accuracy

phenoxy, anion    778 Phenoxy, anion

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    #  Species Formula
   768 t-ButanolC4H10O
   769 C-C-C-C-C-O (Geo)C5O
   770 2,3-Dihydro-5-methyl-furanC5H8O
   771 2-EthylacroleinC5H8O
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O
   776 TetrahydropyranC5H10O
   777 t-Butyl methyl etherC5H12O
   778 Phenoxy, anion C6H5O
   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-CresolC7H8O
   788 p-CresolC7H8O


ΔHf: -40.5 kcal/mol,     REF: J. E. Bartmess, R. T. McIver, "Gas Phase Ion Chemistry," Academic Press, New York, 1979, Vol. II.
  
 CHARGE=-1 PM7
Phenoxy, anion
 H=-40.5 HR=BM1979
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.24014745 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44421920 +1  121.6599152 +1    0.0000000 +0     2     1     0
  C     1.44437167 +1  116.7570631 +1  179.9995888 +1     2     3     1
  C     1.37465171 +1  120.5946588 +1  179.9962082 +1     3     2     1
  C     1.37430123 +1  120.5958480 +1 -179.9895922 +1     4     2     1
  C     1.40065937 +1  121.6715383 +1    0.0098018 +1     5     3     2
  H     1.07626083 +1  117.0682440 +1   -0.0072326 +1     3     2     1
  H     1.07626675 +1  117.0532600 +1    0.0084116 +1     4     2     1
  H     1.08799584 +1  119.6493202 +1 -179.9968189 +1     5     3     2
  H     1.08791858 +1  119.6645174 +1  179.9980638 +1     6     4     2
  H     1.07376623 +1  120.6733877 +1 -179.9925857 +1     7     5     3