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Abstract
A matrix theoretical method for obtaining molecular symmetry coordinates is described. The method is based on the diagonalization of the circulant submatrices of G kinetic and F potential energy matrices representing interaction of equivalent internal coordinates. The symmetry coefficients can be obtained by using a special polynomial relationship between the basic circulant and the submatrices and can be generalized to the case when matrices G and F are block circulant with circulant blocks. The application of the method has been demonstrated for the molecule Hg(CH 3) 2 including the determination of the symmetry species.
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