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The Fe2 molecule is a typical transition metal dimer which has a rather large dissociation energy and a small bond distance compared with the inter-nuclear distance in the crystalline metal. We have investigated the Fe2 molecule with multireference self-consistent-field (MCSCF) and multireference configuration interaction (CI) calculations. The dissociation energy (De), the equilibrium nuclear distance (Re)' and the zero-point frequency (we) were calculated (with observed in parentheses) as 1.57 (1.30±0.22) eV,2.06 (1.87 to 2.02) A, and 260.9 (299.6) cm-I , respectively. Thus the agreement between experiment and calculation is very satisfactory, and is a marked improvement on previous theoretical studies. The contribution of the d electrons to the bonding is important and a proper description of correlation effects among the d electrons is indispensable.