NBO

Natural Bond Order (NBO) is restricted software.

Usage of this software is restricted to Laboratory for Molecular Simulation (LMS) subscribers. If you believe you are eligible to use NBO on our clusters, please email the HPRC Help Desk with the request and justification.

Description

The Natural Bond Orbital (NBO) program is a discovery tool for chemical insights from complex wavefunctions.

Homepage: nbo7.chem.wisc.edu

Those who have been approved for access will be able to run NBO with Gaussian or ORCA.