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The adiabatic ionization potential (IP) of NFx(x=1–3) and the enthalpies of formation of NFxand NFx+have been computed using the Gaussian-3 (G3) theory. The obtained values are generally found in very good agreement with the experimental ones. However, the G3 enthalpy of formation of NF3+at 0K, 261.7±0.9kcal/mol,and the adiabatic IP of NF3,12.63±0.04eV,differ appreciably from the experimental values of 269.6kcal/mol and 13.00±0.02eV,respectively, based on photoionization mass spectrometry [J. Berkowitz, J.P. Greene, J. Foropoulos, Jr., O.M. Neskovic, J. Chem. Phys. 81 (1984) 6166] and 268.2kcal/mol and 12.94±0.01eV,respectively, based on photoelectron photoion coincidence spectroscopy [R. Rüede, H. Troxler, Ch. Beglinger, M. Jungen, Chem. Phys. Lett. 203 (1993) 477]. This confirms the discrepancy recently noted by Ricca [A. Ricca, Chem. Phys. Lett. 294 (1998) 454] between the theoretical and the experimental adiabatic IP of NF3.