We carried out relativistic density functional calculations to investigate systematically the effect of main group element impurities H, C, and 0 on a Pd4 cluster. We determined a bridging coordination for Pd4H as most stable, whereas several other local minima are energetically close. The interaction of C with Pd4 is strong enough to restructure the cluster, resulting in two Pd2 units bridged by 4-fold coordinated C, but other isomers are again almost degenerate. Nearly degenerate isomers of Pd40 exhibit 2- and 3-fold coordination of 0. In the most stable structures, the binding energies of the impurities, 295 U/mol for Pd4H, 655 U/mol for Pd4C, and 367 U/mol for Pd40, are large enough to allow bond breaking of common small molecules when they interact with an ensemble of Pd4 Clusters. Interestingly, the noteworthy relativistic effect on the properties of Pd4 also affects the interaction with impurity atoms. Comparison with other metals reveals similarities with Ni4X and differences from Ir4H, Ir4C, and Pt4H.