The molecular structure of para-fluorophenol (p-FPhOH) has been calculated using the MP2 and density functional (B3LYP) methods with the extended 6-311++G(df,pd) basis set. The gas-phase structure of this molecule has not been reported, as yet. For the series of phenols, p-XPhOH (X = H, F, Cl, Br), the calculated geometrical parameters and natural atomic charges are compared and discussed. It is shown that in para-fluorophenol, the structural changes of the ring are governed chiefly by the electronegativity of fluorine (inductive effect). However, resonance effects induced by the OH and F substituents in the para position also contribute to the geometrical changes of the aromatic ring. The FT-IR spectra of p-fluorophenol and its OD-deuterated derivative (p-FPhOD) in carbon tetrachloride and cyclohexane solutions were measured, in the frequency range of 3700-400 cm(-1), and the experimental integrated infrared intensities were determined. The harmonic frequencies and IR intensities of p-FPhOH and p-FPhOD were calculated with the B3LYP method using the 6-311++G(dfpd) basis set. The unequivocal assignment of the experimental spectra has been made on the basis of the calculated potential energy distribution, PED. The characteristic "marker" IR bands for phenol and its para-halogeno derivatives are discussed. The unusual quenching of the infrared intensities of several bands in the spectra of p-fluorophenol has been explained.