On the use of minimal valence basis sets with the coreless Hartree–Fock effective potential

We investigate the reliability of calculated properties obtained by the coreless Hartree–Fock effective potential method with minimal valence basis sets. Three different types of minimal valence basis sets are constructed and tested. Optimized bond lengths are typically too long, while bond angles are similar to those obtained from all electron calculations. Properties closely related to the electronic charge distribution, such as dipole moments and orbital energies, are quite satisfactory when calculated at fixed geometries.