From the very beginning of its history, PC GAMESS included fully-functional NBO module. However, NBO part of the PC GAMESS/Firefly requires activation as it is a commercial code. You have to purchase PC GAMESS/Firefly NBO license codes and NBO manual from TCI/NBO. The PC GAMESS/Firefly' NBO license is very inexpensive ($30).
To activate NBO module, you should add the following strings to your PC GAMESS/Firefly input:
$license nbolid=lid nbokey=key $end
$nbo < nbo options > $end
Normally, you need to receive both NBO activation key (nbokey, 8-digit hexadecimal code), and NBO license ID (nbolid, some decimal number) from TCI. Nevertheless, they often forget to provide users by the nbolid value. In this case, please contact us as we can recover your nbolid using information on NBO activation key by just looking up into our NBO database.
The NBO code version incorporated into the current distributions of PC GAMESS/Firefly is NBO v. 5.G (JULY 16, 2008)
Last updated: March 18, 2009