Abstract: By using Foster-Boys Localization procedure and ab initio STO-3Gmethod, more than one hundred of organic chain molecules which contain C, H, Oand Natoms were investigated and the LMOenergies and their interaction parameters were obtained.For numerous organic chain molecules containing C, H, O, Natoms, these parameters and LMOmodel can be employed to get the energies of corresponding canonical molecular orbitals and their relation to LMO's and to predict their ionization energies which are in good agreement with experimental results.

Key words: LMO model, Parameters of LMO, Organic chain molecules, Ionization energies