CCL:G: NBO $DEL calculation error

 Sent to CCL by: L E Johnson [lejohn07-#-louisville.edu]
 Hi Robert,
 The NBO website says there is a know problem with $DEL calculations in G03.
 Here's the text from the website:
 An error in the Gaussian-03 program (DFT XC coding) has been found to seriously
 affect $DEL energetic analysis using density functionals. Gaussian-03 users
 should therefore include
 IOp(5/48=10000)
 on the route card whenever the POP=NBODEL option is used. The problem applies to
 both G03/NBO3 or upgraded G03/NBO5G versions of G03, but not to G98 and earlier
 Gaussian versions.
 Thanks to Peter Limacher (ETH-Zurich) for first identifying this problem, and to
 Mike Frisch (Gaussian, Inc.) for the IOp solution. The problem will be repaired
 in the next minor revision of G03
 The website is: http://www.chem.wisc.edu/~nbo5/G03_DEL.HTM
 Try the IOp to see if this helps your problem.
 Lucius
 ----------------------------------------
 Lucius Johnson
 Department of Chemistry
 University of Louisville
 Louisville, Kentucky 40292
 (502) 852-0192
 lejohn07]^[louisville.edu
 >>> "Robert V. Kolakowski rkolakow|-|rci.rutgers.edu"
 <owner-chemistry]^[ccl.net> 02/11/09 12:50 PM >>>
 Sent to CCL by: "Robert V. Kolakowski" [rkolakow||rci.rutgers.edu]
 Hello,
    I have been trying to run an NBO orbital deletion calculation using G03 and
 seem to have hit a wall when optimizing larger structures.
  ************************************************
  ** ERROR IN INITNF. NUMBER OF VARIABLES ( 57) **
  **   INCORRECT (SHOULD BE BETWEEN 1 AND 50)   **
  ************************************************
 Does the default algorithm limit you to 50 variables and if so is there a way to
 override this?
 Any help would be much appreciated.
 Cheers,
 Robert V. Kolakowski
 Department of Chemistry
 Rutgers, The State University of New Jersey
 610 Taylor Road, Piscataway, NJ 08854-8087
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