The geometries,total energies,and frequencies of Zrn(n=2—16) clusters have been systematically investigated by using density functional theory with the generalized gradient approximation.The equilibrium geometries for different spin multiplicities as well as the ground-state structures have been determined.The calculated results on the averaged binding energy, fragmentation energy, second-order difference of cluster energies as well as the HOMO-LUMO gap of the Zrn(n=2—16) clusters indicate that the relative stabilities ofZr2,Zr5,Zr7,Zr13,Zr15 are stronger than clusters of othersizes. The true ground state for Zr13 cluster has icosahedral structure with Ih symmetry,and the stability of Zr13 is the strongest of all the investigated clusters.