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Such basis is recommended for correct description of the spectra because diffuse functions play fundamental roles in the formation of Rydberg MOs. The obtained results indicated that already the lowest roots in A<jats:sub>u<\/jats:sub>, B<jats:sub>1u<\/jats:sub>, B<jats:sub>2g<\/jats:sub>, and B<jats:sub>3g<\/jats:sub> irreducible representations display Rydberg character. The calculated spectra are in a good agreement with both experimental and recently calculated electronic transitions. It is concluded that the SAC\/SAC\u2010CI level spectral lines are significantly affected by configuration selection when energy thresholds 5.0 \u00d7 10<jats:sup>\u22126<\/jats:sup> and 5.0 \u00d7 10<jats:sup>\u22127<\/jats:sup> a.u. are used for the determination of ground and excited state properties. \u00a9 2004 Wiley Periodicals, Inc. 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