As per Jonathan's recommendation, I opened a Feature Request. I included there a zip file containing GAMESS-NBO output files for water, formaldehyde and acetylene. All optimized at the RHF/STO-3G level. I cannot help much with the coding, but if there is anything else I can do, please let me know.
There is a useful tutorial, with images of NBO orbitals at http://www.chem.wisc.edu/~nbo5/tutorial.html The images were generated with NBOView, a program that, for the time being, I cannot afford. Thus the Feature Request. Victor M. Rosas García ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
