Relativistic symmetry orbitals for the double groups C2v, C∞v, D∞h, and Oh

Relativistic symmetry orbitals are given for molecular LCAO calculations for the double groups: C2v, C∞v, D∞h, and Oh (6‐fold) coordination. The atomic orbitals used in the LCAO are of the four component form. A discussion of the comparison between nonre ativistic and relativistic molecular eigenvalues is presented.