Mod:Hunt Research Group/NBO7

Running Population Analysis using NBO7 on the HPC

• An interface to NBO version 7 is provided in Gaussian16
• To request a full Natural Bond Orbital analysis using NBO version 7, use NBO7 instead of NBO
• To produce CHelpG charges and reproduce the dipole moment, add the option chelpg,dipole
• The keyword for population analysis would then be

pop=(full,nbo7,chelpg,dipole)