Subject: Problems using NBO 4.0 with g98

From: Txema Mercero <[email-masked]>
Date: Fri, 03 Mar 2000 13:32:57 +0100

Dear you all,

We have installed NBO 4.0 in g98, and when we try to test it with the
methylamine example of the manual, we get the following error message in
the prompt:

"STOP Missing density matrix"

and the g98 output file looks like this:
 
-----------------------------------------------------------------------------------
 *********************************** NBO 4.0
***********************************
             N A T U R A L   A T O M I C   O R B I T A L   A N D
          N A T U R A L   B O N D   O R B I T A L   A N A L Y S I S

*******************************************************************************
  (c) Copyright 1996 Board of Regents of the University of Wisconsin
System
      on behalf of the Theoretical Chemistry Institute.  All Rights
Reserved.

          Cite this program as:

          NBO 4.0.  E. D. Glendening, J. K. Badenhoop, A. E. Reed,
          J. E. Carpenter, and F. Weinhold, Theoretical Chemistry
          Institute, University of Wisconsin, Madison, WI, 1996.

 WARNING:  No AO Fock matrix available.

 Analyzing the MP first order density

----------------------------------------------------------------------------------------

Thank you for your help,

Best Regards,

					Txema Mercero
					Euskal Herriko Unibertsitatea