IR spectra of liquid water were modeled for a cluster of 214 molecules, using combined MD and ab initio DFT-BPW91/6-31G** computations. The model reproduced well the experimental absorption profile in the range of 0-4000 cm(-1), positions, bandwidths and magnitudes of the absorption maxima for the OH stretching, bending and molecular librational modes. A band corresponding to the transitional motion is reproduced with a bigger error. The procedure can be applied universally and was also used for simulation of absorption spectra of liquid methanol. (C) 2002 Elsevier Science B.V. All rights reserved.