The molecular structures of all complexes are optimized using the B3LYP/def2-TZVP level of theory, incorporating an automatically generated auxiliary basis set with the AU-TOAUX keyword. Acceleration of these calculations is achieved through the Resolution of Identity (RI) approximation coupled with the Chain of Spheres (COSX) method for efficient numerical integration. In time-dependent density functional theory (TDDFT) calculations, we utilized two distinct functionals: B3LYP and PBE0. Additionally, we accounted for scalar relativistic effects by applying two different corrections available in Orca: the Douglas-Kroll-Hess (DKH) and Zeroth-order Regular Approximation (ZORA), with the corresponding basis sets being DKH-def2-TZVP and ZORA-def2-TZVP, respectively. The auxiliary basis sets for these corrections are also generated using the AU-TOAUX keyword. The TDDFT calculations are sped up by the RIJCOSX approximation.