nbo6

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