A closer look at the individual transitions for Mn[Cor]Cl reveals that there are three significant transitions (Figure ). The first one involves the transfer of 1s β electron to 3d xz . The second and third transitions are obtained by transfer of β electron from 1s to 3d yz and 3d z 2 +π L respectively (Table ). For Mn[Cor]Ph, there are four major transitions (Figure ). The first two transitions involves the transfer of electron from 1s β to 3d xz and 3d yz respectively. The third and fourth transitions are more complex. The third transition involves the transfer of a 1s β electron to the 3d xy , 3d xz , or 3d yz orbitals, with a simultaneous transfer of an α electron from these orbitals to the 3d z 2 -σ C orbital. In the fourth transition, 54% involves the transfer of 1s β electron to the 3d xy orbital, with a simultaneous transfer of an α electron from 3d ). For Mn[Cor]py, both DFT and multireference calculations predict the same transitions, involving the transfer of a 1s β electron to the 3d xy and 3d z 2 orbitals (Figure and Table ). and).