We generated structures with relaxed, optimized coordinates for CO adsorbed onto a surface using three kinds of density functionals: the Local Density Approximation (LDA) , Perdew-Burke-Ernzerhof (PBE) , and Bayesian error estimation functional with van der Waals correlation (BEEF-vdW) . The BEEF-vdW functional was designed particularly to target heterogeneous catalysis with consideration for chemical reactivity (bond breaking and forming), the solid-state physics of the surface, and van der Waals forces. Probably for that reason BEEF-vdW tested better than the other functionals for CO-related reactions, often resulting in only a ~0.1 eV deviation from experiment for CO oxidation (2CO + O2 à 2CO2, the reverse reaction to CO2 reduction), methanol formation, (CO + 2H2 à CH3OH + H2O), and ethanol production (CH3 + CO + H2 à CH3CH2OH).