Ab irutro computatronson CuO were performed wttb the Hartree-Fock method and a proper dissociation Ic(C SCF procedure In partrcular the mfluence of the CT0 basrs set for Cu in molecular computattons has been studied. A potentfaf energy curve and a Mulbken populatron analysis are presented. The equdffrium bond length IS predicted reasonably we!f but the dissocratron energy 1s only a fractron of the observed value. Tire bond appears to be a sbgbtly ionic o-type bond, in which metal 3d orbrtals partrcrpate only to a small extent.

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