The molecular complexes play an important role in planet’s atmosphere and chemical reactions of astrophysics.The investigation of geometry configurations for molecular complexes is an important subject both in experimental and theoretical aspects.As a prototype molecular system,the investigation of geometry configuration of van der Waals cluster Ar2N2 attracts considerable attention recently.The different equilibrium configurations of Ar2N2 cluster were reported by experiments as linear conformation[1;2]and theoretical calculations as linear or spatial X-shaped conformations[3-6].