Hartree, and the Endo-C Cu2L4 cage ranks third with an energy of -4419.4601 Hartree. Conversely, the least stable cages based on energy are the Endo-C Pt2L4 and Endo-C Pd2L4, with higher energy values of -4265.7185 and -4280.8324 Hartree, respectively. The general trend observed is that the "endo" conformation combined with Cu2L4 and Ni2L4 tends to provide the lowest energy states, suggesting enhanced stability for these configurations compared to those involving Pt2L4 and Pd2L4. The table compares the total energy (in Hartree) of two cisplatin molecules within different cages, calculated using two different computational theories: Hartree-Fock with LanL2DZ basis set and PBE0 with LanL2DZ basis set. The last column shows the energy difference between the Hartree-Fock and PBE0 methods.