Here is the reply I recievde from Weinhold's group re: NBO
The program NBO 3.0 and printed documentation are available through the
Quantum Chemistry Program Exchange at Indiana University, Bloomington.
The program manual describes the standard interface to Ampac.
We also maintain a source program (.SRC code) of the latest available
version on the GUEST account (password: JOYRIDE) of our VAX/VMS machine
(node 126.96.36.199) for Telnet access. You can log into this
account, change to the [.NBO] directory, and retrieve the files there,
including the basic NBO.SRC program, the ENABLE.FOR "activator" (e.g.,
generate the AMPNBO.FOR Ampac version from NBO.SRC), and the TechSet form
of the program manual (the TechSet formatter is available through
ACS Software at 202-872-4378).
Andrew Holder at the Chemistry Department of the University of Missouri,
Kansas City, is planning to market a version of the Dewar programs which
includes NBO, so this is a third alternative you may consider.
Thanks to those who replied to my query.
University of Rochester
jims #*at*# duce.medicine.rochester.edu