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Natural Bond Orbital

NBO 5.0
Canonical Molecular Orbital (CMO) Analysis. ? The CMO module provides a capsule description of the NBO composition of each canonical molecular orbital (occupied and virtual) as well as the percentage bonding, nonbonding, or antibonding character of each MO; see Sec. B.13.
Natural Chemical Shielding (NCS) Analysis. Within the G9X-based GIAO framework, the NCS keyword gives the localized NBO/NLMO-based analysis of diamagnetic and paramagnetic contributions to NMR chemical shielding tensors; see Sec. B.14.

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