Subject: G98 ReadVector option of the IRC Keyword

From: Pierre-Yves Morgantini <[email-masked]>
Date: Thu, 11 Oct 2001 10:31:05 +0200

Dear CCLers,

 I need help from a Gaussian Guru... We are trying to locate a transition
state but we always obtain 2 imaginary frequencies corresponding to highly
coupled normal modes. To eliminate one imaginary frequency, I want to try
to use the ReadVector option of the keyword IRC in the Gaussian 98 A.7 
package. However, the description of this option is very short in the
Gaussian manual (Read in the vector to follow. The format is 
Z=Matrix (FFF(I),I=1,NVAR), read as (8F10.6).) and I do not know how
to obtain the vector to follow from a frequency calculation. 

Are there Gaussian users with some experience using this option ?

Any help/advice will be welcome.

Thank you in advance.

P.-Y. Morgantini

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Pierre-Yves Morgantini / Assistant Professor
University of Geneva / Department of Physical Chemistry
30, quai Ernest Ansermet / 1211 GENEVA 4  (Switzerland)
Phone (41-22) 702 65 24 (direct) / (41-22) 702 61 11
Mobile (41-79) 449 10 51 / Fax (41-22) 702 65 18
E-Mail [email-masked]
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