PM7 Accuracy

diethyl ether    770 Diethyl ether

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    #  Species Formula
   760 Acetyl acetyleneC4H4O
   761 FuranC4H4O
   762 Furan (Geo)C4H4O
   763 2,3-DihydrofuranC4H6O
   764 CrotonaldehydeC4H6O
   765 Divinyl etherC4H6O
   766 ButanalC4H8O
   767 IsobutanalC4H8O
   768 Methyl ethyl ketoneC4H8O
   769 TetrahydrofuranC4H8O
   770 Diethyl ether C4H10O
   771 t-ButanolC4H10O
   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


DHf: -60.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.1 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.6 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
Diethyl ether
 D=1.15 H=-60.3 HR=C&P1970 I=9.6 IR=LLNBS82 DR=NLM1967
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52541753  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.42263135  1  103.9751919  1    0.0000000  0     2     1     0
  C     1.42223176  1  113.0194684  1 -179.8600088  1     3     2     1
  C     1.52506608  1  104.2878053  1  179.8326129  1     4     3     2
  H     1.09368813  1  111.5073844  1  179.8573809  1     5     4     3
  H     1.09784719  1  110.8744365  1 -120.8585057  1     5     4     6
  H     1.09784614  1  110.8801504  1 -118.3321244  1     5     4     7
  H     1.10417832  1  109.5002756  1 -119.9880151  1     4     3     5
  H     1.10431358  1  109.4668798  1 -120.0649672  1     4     3     9
  H     1.10426894  1  112.0448041  1  118.0861207  1     2     1     3
  H     1.10394994  1  112.0586758  1  123.6766561  1     2     1    11
  H     1.09369602  1  111.4958037  1 -179.9290282  1     1     2     3
  H     1.09780745  1  110.8739039  1 -120.8303043  1     1     2    13
  H     1.09784521  1  110.8898944  1 -118.3498637  1     1     2    14