The coordination number n OO predicted by each functional is plotted in Fig. . Experimentally, Skinner et al. showed that the O-O coordination number of the liquid state has a value of 4.3 and is independent of temperature , while previous works reported values between 4 and 5 . In addition, negligible changes were observed from AIMD and force field simulations at different temperatures 121 , supporting that deviations of n OO directly relate to the quality of the intermolecular interactions as described by the functionals. As seen, a majority of them is in agreement with the tetrahedral configuration of nearest-neighbor water molecules . However, the fact that the O-O RDF does not reach zero after the first peak makes it challenging to determine the first coordination shell unambiguously. This difficulty makes n OO strongly dependent on the distance cutoff selected for the integration of the RDF: In most cases, n OO is slightly underestimated because the O-O RDF tends to be overstructured in the absence of NQEs. On the other hand, the smoothening due to the addition of dispersion corrections makes the theoretical predictions agree more closely with experiments (e.g., BLYP-DCACP, revPBE-DCACP, M06-2X-D3). The lack of accuracy of the Minnesota meta-GGAs is further exemplified by their extended first coordination shell that includes an unphysical number of water molecules. Although still understructured, this is partly corrected for some hybrid functionals such as M06, M06-2X(-D3), M08-SO, M11, and MN15.