Gaussian (and several other programs) labels AOs with L=6,7,8,9... as IJKL... instead of IKLM.... Hence Basis Set Exchange produces Gaussian basis sets that use Gaussian's IJ convention, etc. BasisSet::read_g94_basis_library() follows the IK convention, but needs to follow the IJ convention.
Gaussian (and several other programs) labels AOs with
L=6,7,8,9...asIJKL...instead ofIKLM.... Hence Basis Set Exchange produces Gaussian basis sets that use Gaussian'sIJconvention, etc.BasisSet::read_g94_basis_library()follows theIKconvention, but needs to follow theIJconvention.