nbo7

The Natural Bond Orbital (NBO) program NBO 6.0 is a discovery tool for chemical insights from complex wave functions.

Homepage Version(s): 7.0

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nbo7 requires an environment module

In order to use nbo7, you must first load the appropriate environment module:

module load gaussian09

NBO 7.0 is the current version of the broad suite of 'natural' algorithms for optimally expressing numerical solutions of Schrödinger's wave equation in the chemically intuitive language of Lewis-like bonding patterns and associated resonance-type 'donor-acceptor' interactions.

Using NBO 7 on RCC Resources

To use NBO 7 on HPC:

module purge
export PATH=/gpfs/research/software/nbo/nbo7/bin:$PATH
module load gaussian09
g09