PM7 Accuracy

anisole    788 Anisole

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    #  Species Formula
   778 Diethyl ketoneC5H10O
   779 TetrahydropyranC5H10O
   780 t-Butyl methyl etherC5H12O
   781 Phenoxy, anionC6H5O
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl etherC6H14O
   787 BenzaldehydeC7H6O
   788 Anisole C7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-olC7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O


DHf: -17.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.4 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Anisole
 DR=NLM1967 D=1.38 H=-17.3 HR=C&P1970 I=8.4 IR=LLNBS82
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     2.76977360  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39129569  1   59.9016847  1    0.0000000  0     1     2     0
  C     1.39830993  1  120.0077840  1    0.0047254  1     1     3     2
  C     1.39375404  1   60.9514776  1   -0.0073204  1     2     1     3
  C     1.40509318  1  121.7280370  1   -0.0003693  1     2     5     3
  O     1.35996695  1  125.6549331  1 -179.9730174  1     2     5     3
  C     1.42030730  1  117.2970849  1   -0.1809803  1     7     2     5
  H     1.08626094  1  120.1692404  1 -179.9951445  1     1     3     5
  H     1.08958488  1  119.8742847  1 -179.9932839  1     3     1     4
  H     1.08980675  1  119.7204381  1  179.9933356  1     4     1     3
  H     1.08337760  1  121.6021854  1  179.9989454  1     5     2     6
  H     1.08643728  1  119.7165889  1 -179.9988387  1     6     2     5
  H     1.09896427  1  102.1538918  1  179.9818656  1     8     7     2
  H     1.09438821  1  110.9597296  1   62.2553281  1     8     7     2
  H     1.09437948  1  110.9396150  1  -62.2971280  1     8     7     2