The possible geometrical and electronic structures of small bimetallic Pd-Pb clusters including Pbn(n=2,3,4,5) and PdnPbm(n+m≤5) have been optimized by density functional theory(B3LYP/LANL2DZ) method with relativistic effective core potential(RECP) using Gaussian 98 code. The shaping regularities of small bimetallic Pd-Pb clusters is analyzed based on structures and vibration spectrum. Finally, the energy level distribution, HOMO-LUMO gaps and the chemical activation are discussed.