SINDO1 calculations of vibrational frequencies of adsorbed molecules

A scaling procedure is used for the force constants generated by the SINDO 1 method in internal coordinates to achieve better agreement with experimental frequencies of molecules. The procedure is subsequently used to calculate frequency shifts for adsorbed molecules. The results for CO₂ and CO adsorption at NaCl cluster surfaces are in good agreement with experimental data. © 1995 John Wiley & Sons, Inc.