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All the <jats:italic>ab initio<\/jats:italic> results (provision being made for their expected divergences) are similar and show a simple twofold character for the &gt; N\uf8ffO\uf8ff rotational energy, without any appreciable populations of the cis conformer. On the other hand, the predictive value of the semiempirical methods for structural and energetical parameters of molecules bearing &gt; N\uf8ffO\uf8ff moieties is limited, a situation like that prevailing for peptide bonds. The inversional barriers for the methyl\u2010substituted hydroxylamines were also calculated and compared to the corresponding rotational energy barriers. 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