The calculated ligand field parameters for Cf(18-crown-6)I2 in a 5f Molecular orbital localization. The Kohn-Sham orbitals obtained from single point calculations were used to obtain the Natural Localized Molecular Orbitals using the NBO module included in ADF. The single point calculation was performed using the hybrid GGA PBE0 functional in conjunction with the STO-TZP basis set for all atoms except Cf and I, where the STO-TZ2P basis set was used.