Abstract
Ab initio LCAO-MO-SCF calculations of the energies and dipolc moments of four possible 1-fluoroacetic acid rotamers have tentatively been performed on a 7s,3p basis contracted to 4s, 2p. In spite of the obvious limitations of the method, the results are qualitatively in agreement with earlier experiments. In order of increasing magnitude the total energies are - 326.10564 a.u., - 326.10231 a.u., - 326.09890 a.u., and - 326.08294 a.u. In the same sequence the calculated dipole moments in debye units are 3.32, 0.74, 3.26, and 5.40.
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