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Mixed-metal carbonyl clusters of W2Ir2(CO)10(η5-C5H4Me)2 1 and W2Ir2(μ-L)(CO)8(η5- C5H4Me)2 (L = dppe 2, dppf 3) have been studied by TDDFT method focusing on their electronic and nonlinear optical properties. These three clusters exhibit the first static