The catalytic effect of LiH, 2LiH, BeH 2 and 2BeH 2 on the hydrogen release from hydrazine is studied using quantum chemical calculations. Potential energy surfaces of the relevant reactions are constructed using MP2 and CCSD(T) methods and the aug-cc-pVnZ basis functions and extrapolated to the complete basis sets. No extra energy is needed for hydrogen release, and regeneration of the catalyst in the case of 2LiH. A small amount of energy is needed for the regeneration of 2BeH 2 . The results suggest the capacities of small hydride molecules to act as efficient catalysts for H 2 production.