Mulliken Symmetry Labels

Whereas molecular symmetries usually are described by the Schonflies symbols, a set of labels devised by Mulliken is more frequently applied to atomic and molecular orbitals. These rely on identification of the same set of symmetry elements as is used for the Schonflies notation: a center of inversion, various rotational axes, Cn, and mirror planes, sv and sh.

Mulliken Symbol Interpretation
a Non-degenerate orbital;
symmetric to principal Cn
b Non-degenerate orbital;
unsymmetric to principal Cn
e Doubly degenerate orbital
t Triply degenerate orbital
(subscript) g Symmetric with respect to
center of inversion
(subscript) u Unsymmetric with respect to
center of inversion
(subscript) 1 Symmetric with respect to
C2 perp. to principal Cn
(subscript) 2 Unsymmetric with respect to
C2 perp. to principal Cn
(superscript) ' Symmetric with respect
to sh
(superscript) " Unsymmetric with respect
to sh


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