The effect of different terminations of cluster models was shown on the qua
ntum-chemically calculated atomic charges, bonding population analysis and
harmonic vibrational frequency of the inner OH group. As the basic model wa
s proposed 32 atomic cluster of the brucite sheet in lizardite layer. The c
alculations were Performed using Hartree-Fock method and 3-21G atomic basis
set (HF/3-21G).