gennbo

The general stand-alone GENNBO. With this program, NBO analysis can be conveniently performed at the desktop (or repeated for many alternative $NBO keylist options) by using the "archive" (.47) file generated from a previous ESS/NBO run, without the necessity of re-calculating the wavefunction and molecular integrals. (Summary from the program web page.)

The official web page:http://www.chem.wisc.edu/~nbo5/

Typical usage

$ module add gennbo 
$ gennbo < input