Metal organic frameworks (MOFs) have attracted considerable interest due to their high porosity and tunability, making them ideal for applications related to gaseous species, such as gas storage, 4,5 capture, separation, and catalysis. In designing MOFs for applications involving gases, both the absolute and relative strengths of gas binding are crucial for material selectivity. MOFs featuring open metal sites are particularly promising in this regard. The interaction between the metal and a gas molecule at these sites can be finely tuned through the chemical environment of the metal, enhancing selectivity for specific gases. To effectively design the selective interaction, quantum chemistry calculations are indispensable. They provide a deep understanding of the metal-gas molecule interactions, enabling the tailored design of MOFs with desired selectivity for certain gases. Computational studies of MOFs are commonly performed using their periodic structures through density functional theory (DFT) employing the semi-local generalized gradient approximation (GGA) functional. DFT provides a practical balance between computational efficiency and accuracy, facilitating the calculation of large unit cells of MOFs. However, DFT is notably prone to self-interaction errors, which cause excessive delocalization of electron density. Self-interaction error can significantly impact the study of MOFs, leading to inaccuracies in reaction barriers, adsorption energies, , and electronic properties. Moreover, as DFT operates as a single-reference method, approximating the many-electron wavefunction with a single Slater determinant, it incurs static correlation errors, which are particularly pronounced in strongly correlated systems. There is a notable tradeoff between selfinteraction and static correlation error, where methods that fix the delocalization error (e.g., incorporating an admixture of Hartree-Fock exchange) are known to be more prone to static correlation errors. For a more accurate analysis of gas molecule binding, post-DFT methods such as coupled cluster singles and doubles with perturbative triples (CCSD(T)) are necessary. While CCSD(T) remains a single-reference method and is subject to static correlation error, it demonstrates sufficient accuracy for systems exhibiting moderate correlation (e.g., systems with low multireference character indicated by diagnostics). CCSD(T) is typically limited to molecular systems, and MOFs can be conveniently decomposed into molecular components like secondary building unit (SBU) and organic linkers. Such decomposition allows the application of post-DFT methods to individual MOF components. While these approaches offer detailed insights into molecular interactions, they fall short in accurately representing the complete periodic structure of MOFs. Consequently, accurately calculating adsorption energies, while is vital for understanding selectivity, remains challenging due to the difficulties in extending post-DFT methods to full periodic MOFs. To overcome this challenge, we investigate the application of the Hubbard U parameter to a GGA functional (here, PBE) in DFT calculations for full periodic MOFs, primarily focusing on correcting the self-interaction error. The Hubbard U correction can effectively correct DFT's self-interaction error, provided the U parameter is appropriately chosen, without incurring additional computational costs. The U parameter has previously been adjusted to match experimental data for tuning oxidation energies , electronic structure properties, and catalytic activity. Leveraging the reticular structure of MOFs and the correlation between the multireference character of MOFs and their molecular counterparts, we introduce a scheme that determines the U parameter by fitting GGA+U gas molecule adsorption energy results of an SBU to the results of post-DFT calculations, and applies the same U parameter to GGA+U (specifically, PBE+U) calculations of the full MOF. The effectiveness of this U parameter determination scheme is evaluated using two benchmark data sets: DFT calculation results using the HSE06 functional and experimental heats of adsorption. To validate a hypothesis that a U parameter that is effective for correcting SBU energetics will similarly apply to the MOF system, we initially benchmark against HSE06 calculation results. The local hybrid HSE06 was selected because it is the highest-level method for solid-state systems that remains computationally feasible for MOFs that typically have large unit cells. Upon confirming that the U parameter capable of matching the HSE06 result for the SBU also increases agreement between PBE+U and HSE06 for the periodic MOF, we proceed to fit the U parameter to the CCSD(T) results of SBU. Finally, we compare the outcomes of PBE+U, employing the U parameter fitted to CCSD(T), with the experimental data.