NBO



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 128.104.26.10) 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.,
 to
 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.
                                        Jim Schmidt
                                        University of Rochester
                                        Pharmacology Dept.
                                        jims #*at*# duce.medicine.rochester.edu