By focusing solely on the metal elements and the ligand atoms within their first coordination spheres (as determined using the CrystalNN near-neighbor finding algorithm ), we find that -compared to the PBE reference -there is often a loss of electron density (i.e. increased partial atomic charge) at the metal and corresponding gain of electron density (i.e. decreased partial atomic charge) on the surrounding ligands when using the HSE06 functional (Figure ). These trends are consistent with previous partial charge analyses carried out on transition metal complexes and open-framework solids. Given the large partial charge dataset in the present work, we can conclude that this shifting of electron density occurs for an enormously diverse range of metal-ligand environments and can be taken as a rule-of-thumb in most cases. While there are differences in the partial atomic charges between the various levels of theory, they are generally relatively minor. The overall strong agreement suggests that the less expensive PBE-quality charges, which are available for thousands of MOFs, are likely suitable when carrying out highthroughput computational screening studies.