Uniqueness and basis set dependence of iterative Hirshfeld charges

The iterative Hirshfeld-I procedure is a method for removing the dependence of Hirshfeld charges on the promolecule chosen. Computational and theoretical evidence for why these self-consistent Hirshfeld-I charges do not depend on the promolecule chosen is presented. Furthermore, it is shown that Hirshfeld-I charges are only slightly basis set dependent.