given molecule. The orbital information for one of the Kramers pair orbitals is displayed in ascending order of orbital energy. Additionally, the percentages of atomic orbitals contributing to each MO are shown, providing users with a comprehensive overview. Regardless of the values of orbital energies, the orbital spaces can be freely defined using the GUI, although the same Kramers pair orbitals cannot be separated and cannot be put into different orbital spaces. For example, coreexcited state calculations may be possible when inner-core orbitals are chosen in RAS1.