Table 5. Summary of NBO and NLMO Results for NOCbi⁺. Energies, Occupancies, and Percent Co/N_NO Compositions of the Co-Based NBOs Are Shown, in Addition to the Percent Contributions of These NBOs to the Corresponding NLMOs. Low-Occupancy NBOs, which Correspond to Formally Empty Orbitals, Are Highlighted in Red^a.

^aNA indicates values not availalable from NLMO composition analysis, but estimated to be close to 100%.