In the Q-Chem software, the code for spin-related properties, such as orbital angular momenta and SOCs, is general and can be interfaced with any method providing reduced density matrices. Electronic states and transition properties were characterized in terms of natural orbitals (NOs) and natural transition orbitals (NTOs). This approach has been widely applied to molecular magnets using various electronic structure methods, including EOM-CCSD, SF-TD-DFT, and EOM-CCSD-in-DFT. In addition to computing state energies and spin properties, macroscopic magnetic properties-specifically, the magnetization and susceptibility-were computed, as implemented in the ezMagnet software. This framework accounts for spin-orbit and Zeeman interactions via a two-step state-interaction scheme: first, non-relativistic EOM-CCSD or EOM-CCSD-in-DFT states are computed;