The predicted binding energies for CO and CO2 using PBE+D2 are 0.277 and 0.435 eV, respectively. These decrease to 0.029 and 0.002 eV when the PBE functional is used without the Grimme correction, indicating that van der Waals interactions are dominating the binding in both cases. In order to further assess the role of the open metal site in the binding mechanism, we computed the binding energy of CO and CO2 adsorbed between two [Pt(CN)4] planes (representing site A) and between two pyrazines (representing site B) and removing the rest of the framework. This is done by fixing the atomic coordinates to the relaxed geometry in the MOF and by removing the pyrazine ligands and the planes respectively. We imposed cell parameters of a=b=c= 20 Å in both cases to avoid interactions between periodic images. We employed PBE+D2 for this comparison. For CO, the computed binding energies are 0.190 and 0.088 eV for the molecule adsorbed respectively on pseudo-site A and B. For CO2 these are 0.256 and 0.142 eV, respectively. This comparison indicates a stronger contribution of the [Pt(CN)4] plane to the binding energy. This is different for SO2, where a larger decrease in binding energy (by 64.4 %) was predicted (see table ) than for CO (31.4 %) and CO2 (41.1 %) when comparing the full MOF and the [Pt(CN)4] fragments.