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An ab initio quantum-chemical study has been made of the possible existence in terms of structural and thermodynamic stabilities of the pentacoordinated nitrogen hydrides and fluorides, NF(n)H(5-n) for n=0 to 5. Three structurally stable species have been identified corresponding to n=3 to 5. We report computed energies, vibrational frequencies, structural parameters, and multicenter analyses of total energies. For all except the last of these properties we employed the second-order perturbation approximation to the correlation energy. Nitrogen pentafluoride was studied in detail, including the enthalpies and free energies of two likely formation and decomposition reactions. Our analysis shows that each of these compounds contains a truly pentacoordinated first-row element, with five independent linkages to the central nitrogen atom. Reprints. (AW)