1. See Refs. 12–14, 17–23, and 27 in preceding Comment.
2. R. L. Jaffe and J. B. Anderson, J. Chem. Phys. 54, 2224 (1971).JCPSA60021-9606
3. J. T. Muckerman, J. Chem. Phys. 54, 1155 (1971).JCPSA60021-9606
4. The 2A′ and 2A″ representations both become E1/2 in the double group notation of G. Herzberg, Electronic Spectra of Polyatomic Molecules (Van Nostrand, Princeton, N.J., 1967), Appendixes II and III. Correspondingly, for collinear geometry, the 2Σ and 2Π representations become E1/2 and E1/2+E3/2, respectively.
5. C. E. Moore, Natl. Bur. Std. (U.S.) Circ. 467, 60 (1949).NBSCAA0096-9648