PM7 Accuracy

phenol    782 Phenol

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    #  Species Formula
   772 C-C-C-C-C-O (Geo)C5O
   773 2,3-Dihydro-5-methyl-furanC5H8O
   774 2-EthylacroleinC5H8O
   775 3,4-Dihydro-2H-pyranC5H8O
   776 3-Penten-2-oneC5H8O
   777 CyclopentanoneC5H8O
   778 Diethyl ketoneC5H10O
   779 TetrahydropyranC5H10O
   780 t-Butyl methyl etherC5H12O
   781 Phenoxy, anionC6H5O
   782 Phenol C6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O


DHf: -23.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.5 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
  
 NOINTER NOXYZ PM7
Phenol
 D=1.45 HR=C&P1970 H=-23.04 DR=NLM1967
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.35942368  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39552552  1  122.3886933  1    0.0000000  0     2     1     0
  C     1.39957282  1  122.5486885  1 -179.9976759  1     2     3     1
  C     1.39382430  1  118.0580635  1  179.9992589  1     3     2     1
  C     1.38927413  1  118.1090659  1 -179.9959763  1     4     2     1
  C     1.39309646  1  120.5199153  1    0.0103948  1     5     3     2
  H     0.98706849  1  112.1936001  1    0.0042430  1     1     2     3
  H     1.08333865  1  121.1993330  1   -0.0024058  1     3     2     1
  H     1.08632698  1  119.9610242  1    0.0011911  1     4     2     1
  H     1.08972376  1  119.5590059  1 -179.9956665  1     5     3     2
  H     1.08986948  1  119.6920109  1 -179.9968495  1     6     4     2
  H     1.08659157  1  119.9841714  1 -179.9947462  1     7     5     3