Introduction
NBO 6.0 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 6.0 on RCC Resources
To use NBO 6.0 on HPC:
export PATH=/gpfs/research/software/nbo/nbo6/bin:$PATH
module purge
module load gaussian09
g09
Homepage Link (URL)
Version
6.0
Software Category