Lastly, our findings emphasized the necessity of using the full periodic MOF model for computing adsorption energies robustly. Although the cluster model cannot provide a quantitative estimation of gas molecule adsorption on MOFs, we nevertheless showed that it is useful for calibrating the U parameter. Thus, the proposed strategy provides a path to overcoming the computational limitations of full periodic MOFs, where the accuracy of calculations is typically limited to the GGA level, by calibrating methods at higher accuracy on the cluster model to predict accurate adsorption in the full system. We expect this approach to generalize well to other adsorbates and properties such as catalysis.