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Abstract
A general method is described for calculating the vibronic energy levels associated with two Born-Oppenheimer states of a triatomic molecule that become degenerate in the linear limit. The method combines Renner's matrix treatment of orbital angular momentum in linear molecules with Hougen, Bunker and Johns' formalism for large amplitude bending motions, and allows for the effects of electron spins; it applies equally well to linear and bent molecules. The effects of the non-integral nature of the matrix elements of Lz in bent molecules are included, and the calculation of relative band intensities in optical and photoelectron spectra is described.