Fe(bpac)Mn(CN)4 adsorbs CO2 with a side on configuration both in LS and HS with a metal-C distance of 3.611 Å and 3.663 Å, respectively. N2 and CO adsorb on a top on configuration, both in LS and HS, similar to the Fe case. In LS, H2 binds in a Kubas mechanism with E b =1.047 eV and an average Mn-H distance of 1.710 Å. In HS, the weak interaction is reflected on the large average distance of 3.025 Å and E b =0.087 eV. Similar binding configurations are found for Fe(pz)Mn(CN)4.