In practice, LanL2DZ is implemented using the Gen and GenECP keywords in Gaussian 09 software. For example, it describes the valence orbitals of ruthenium by considering 28 core electrons (1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 = Argon) and utilizing a 3s3p2d basis set. LanL2DZ is suitable for transition metals and other elements, making it a valuable basis set for investigating metallacages . Additionally, DFT is generally preferred over the Hartree-Fock (HF) method for predicting atomic behaviour and molecular properties due to its improved accuracy . Researchers can also use available codes to create hybrid basis sets, enhancing existing ones by combining various methods.