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Molecular orbital calculations are used to show that O-protonated formamide is more stable than its N-protonated tautomer by 6.2 kcal/mol. The computed proton affinity of formamide (assuming O-protonation) is computed to be 254.8 kcal/mol.

A Theoretical Study of the Site of Protonation of Formamide Using Non-empirical LCAO-MO-SCF Calculations