Non-empirical LCAO–MO–SCF calculations have been performed on planar (D3h) and non-planar (C2) configurations of borazine; it is shown that the planar structure is energetically preferred by a substantial margin.
D. R. Armstrong and D. T. Clark, J. Chem. Soc. D, 1970, 99 DOI: 10.1039/C29700000099
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