| Abstract: | SINDO1 calculations are presented for ground state geometries, heats of formation, ionization potentials and dipole moments of chlorine and sodium compounds. These calculations are based on a new parametrization of SINDO1 for second-row elements which features inclusion of 3d orbitals and zero point energies. The comparison shows a substantial improvement over MNDO in geometries and heats of formation of hypervalent compounds and ionization potentials, whereas other properties are of similar quality. |
