Subject: NBO in G94?

From: [email-masked] (Chiu-Ling Lin)
Date: Mon, 6 Jul 98 20:15:02 TAIST

I had typed the keyword "NBORead" in my input(I had finished the
frequency calculation) to calculate the Wiberg and
atom-atom overlap-weighted NAO bond order, but the output 
didn't give what I want.  The input was written as following, 
************************************
  $rungaussian
  %chk=h2
  #n b3lyp/6-31g** scf=direct pop=nboread scfcyc=100
  guess=read geom=check

  -------h2co-h2-ts-------------

 0 1
*************************************

Is anything wrong in the input? And how can I get the "bond indexs"?

Thanks to all who responded.

===============================================
Chiu-Ling Lin
Department of Chemistry, Nthu, Hsinchu, Taiwan 
[email-masked]
[email-masked]
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