Subject: Thanks

From: Andy Holder <[email-masked]>
Date: Sun, 19 Apr 1992 20:12 CST

Thanks to Mike Frisch for clearing up the confusion on G90 optimi-
  izers.  As I noted in my earlier post, I would reccomend all final
  optimizations employ the keyword PRECISE for refinement of the
  gradients and accuracy in the wavefunction.

As regards some of the ideas in Doug Smith's notes on optimization
  of undefined bonds in rings, I have never experienced this diff-
  iculty with AMPAC optimizers.  Because the time required for an
  energy calculation is so much shorter than ab initio methods, it
  is my impression that semiempiricl optim"G~zers are a bit more 
  "laid back" for want of a better term.  This type of event was
  a classic case with early versions of BERNY I believe.  I think
  that GAUSSIAN, Inc. Has repaired this though.

  Andy Holder

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                              DR. ANDREW HOLDER
             Assistant Professor of Computational/Organic Chemistry

Department of Chemistry              ||  BITNET Addr:   AHOLDER@UMKCVAX1
University of Missouri - Kansas City ||  Internet Addr: [email-masked]
Spencer Chemistry, Room 502          ||  Phone Number:  (816) 235-2293
Kansas City, Missouri 64110          ||  FAX Number:    (816) 235-1717
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