To assist the analysis of the inelastic scattering data, we compute the partial G(ω) for each atom or group of atoms in the case of CO and CO2 adsorption (see Figure ). The distribution of the specific contributions to the total G(ω) is similar in the two cases, and to the case of SO2 . Below 100 cm -1 the spectra are dominated by vibrations of the heavy atoms, Fe and Pt, with the Pt being the dominant one. A minor contribution from the pyrazines and cyanides can be observed as well, together with the vibrational modes of CO or CO2 (mainly rotational or translational modes). For the intense peak which is found in the experiment at ca. 96 cm -1 and predicted around 150 cm -1 , the main contributions arise from the pyrazine, cyanides and the Pt atoms. In the region [100-400] cm -1 we find vibrations from all the atoms. In this region, Felix et al. identified the characteristic Fe-Npz and Fe-NCN stretching modes using Raman and nuclear inelastic scattering for Fe(pz)[Ni(CN)4] at 306 and 381 cm -1 , respectively. We identified these modes upon CO adsorption at 311.3 and 318.0 cm -1 for Fe-Npz stretching and at 374.7 and 386.4 cm -1 for Fe-NCN. For CO2, Fe-Npz stretchings appear at 309.25 and 320.11 cm -1 and Fe-NCN stretchings at 387.97 and 375.16 cm -1 . Finally, the peaks at 400 cm -1 have a strong contribution from the pyrazines and a smaller contribution from CN and Pt.