Abstract
Abstract π -Electronic energy levels, probalities of the resonance structures, and bond orders of cyclobutdiene molecule have been calculated by the valence bond method on the bases of two ways, one is based on non-orthogonal atomic orbitals and the other on their orthogonali-zation. Calculated ionic characters are 21.517% (ground 1B2g state), 29.946% (first excited 1A1g state) in the former and 32.293%, 38.280% in the latter. Bond orders between neighboring carbon atoms are 1.445, 1.410 and 1.416, 1.385 respectively.
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