Also basis set selection issues are partially fixed, but „mixed“ is still not considered in atom-specific basis set selection. This is of course somewhat difficult, since it requires knowledge which atoms are affected by „mixed“. See table in https://www.molpro.net/manual/doku.php?id=general_program_structure&s%5B%5D=core&s%5B%5D=mixed#defining_orbital_subspaces_occ_closed_core_frozen

Originally posted by @hjwerner in #313