Molecular orbital theory of the properties of inorganic and organometallic compounds. 3. <scp>STO</scp>‐3G basis sets for first‐ and second‐row transition metals

Abstract STO ‐3G minimal basis sets for first‐ and second‐row transition metals have been formulated and applied to the calculation of equilibrium geometries for a variety of inorganic systems, metal carbonyls, and organometallic compounds. While the overall level of agreement with experiment is not as good as that previously noted for main‐group compounds, most trends and many subtle features in geometries are reproduced.