Based on the available data, hybrids provide a good approximation of the first maximum of g OO , which is consistent with our previous observation that the inclusion of exact exchange in Minnesota functionals improves the accuracy of both the position and height of the first peak. This can be attributed to the fraction of exact exchange that mitigates the self-interaction error in local and semilocal XC functionals, which has been correlated with an artificial strengthening of the H 2 O tetrahedral structure and the delocalization of protons 161 . Although PBE0 still yields overly structured water, its D3 and TS-vdW variants provide better agreement with experimental data. The most accurate hybrid functional appears to be revPBE0-D3, which is also the best approximation over all functionals for which data on water has been reported (vide infra).