revPBE-D3, B97-D3, TPSS-D3 and vdW-DF2 exhibit errors on the order of -12 to -14 kJ mol -1 , better than the previously mentioned functionals, but worse than PBE-D3, for which the 𝑀𝑆𝐸 amounts to -9 kJ mol -1 . The results for PBE-D3, one of the most widely used dc-XC functionals in adsorption investigations, are essentially in line with earlier studies of smaller molecules in zeolites, where PBE-D3 was found to overestimate the interaction strength systematically, but not as prominently as many functionals from the non-local vdW-DF1 family. Since the CBS-extrapolated DLPNO-CCSD(T) adsorption energies are consistently less negative than the DFT values, regardless of the choice of functional, the rev-vdW-DF2 functional that was previously found to predict the weakest interaction strength emerges as the functional providing best agreement with the benchmark values, with a mean of signed errors of -3.4 kJ mol -1 . Even when using TZVP-MOLOPT basis sets in a routine fashion, without CBS extrapolation, the agreement for rev-vdW-DF2 (𝑀𝑆𝐸 = -7.5 kJ mol -1 ) remains better than for the second-best functional (PBE-D3) with CBS extrapolation. Among the tested set of dc-XC functionals, rev-vdW-DF2 thus emerges as the most attractive choice when aiming to compute reasonably accurate adsorption energies (of course, this does not rule out that other functionals that were not tested here might perform even better). Although there are a few studies in which this functional was used to compute adsorption energies for different guest species in zeolites, these reported no benchmark values from experiment or higherlevel calculations. Broadening the view to adsorption in other materials, Vlaisavljevich et al.