From owner-chemistry@ccl.net Mon May 29 10:47:00 2006
From: "tarig elshaarani mohamed shaarany_11[A]yahoo.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL:G: IRC & TS CALCULATION
Message-Id: <-31854-060528084843-8398-q0C9f5tn2LtoSpUI7fbvmA**server.ccl.net>
X-Original-From: "tarig elshaarani mohamed" <shaarany_11]_[yahoo.com>
Date: Sun, 28 May 2006 08:35:45 -0400


Sent to CCL by: "tarig elshaarani mohamed" [shaarany_11|,|yahoo.com]

Dear Sir/Mme:

   I am a gradute student from  Sudan ,working on theoretical studies 
of
Diels_Alder reaction using G03,(following the reaction using density
function theory)..my problem is that; whenever i make my (input)file by
Molder and (export )it to G03 to process calculations,especially when i
use IRC or TS as keywords a message pop up to me reading(insert the
force constant calculations) but when i respond to this by writing(calc
 FC ) as key word with IRC or TS, another message pop up reading (input
error)..What do you suggest i should do to overcome this?...Also is
there any software that can prepare the coordinates as Z matrix?....







    Thank You so much

  Tarig Elshaarani
  M.Sc student
  University of Khartoum


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