Bond features In the context of localized natural bond orbitals, bonds are simply a combination of the orbitals from each atom. For that reason, the NBO analysis data provides atom-wise s, p, d, and f characters, polarization, polarization coefficient, and the respective values for antibonding orbitals. Occupancy for bonding and antibonding orbitals are the only bond-specific target from the original data. In total, they are totalizing twenty-six targets.