Subject: Gaussian 94 IRC calculation bugs?

From: Peking <[email-masked]>
Date: Wed, 17 Jan 1996 07:41:43 -0500 (EST)

Dear netters,
	I post a question yesterday, from the respond, I found that I may 
not express myself clearly. Here I add some info about what I did. Sorry 
for this

	Anybody can kindly point out if it is a bug or I did something wrong?

	I used LST and got a saddle point at rhf/6-31g* level, When I
finish the transition state optimization and frequency calculation so that
I am sure the stationary point I got is a saddle point.  then I try to use
IRC calculation to confirm that the saddle point connects my starting
materia and the product. however, when I submitted that job, the computer
told me that "operation on file out of range" "ER terminatnion in NtrErr".
"NtrErr called from FileIO" But I did similar job before using Gaussian92. 

	The command file is :
--link1--
%chk=ts
#T rhf/6-31g(d) IRC=(rcfc, stepsize=5, maxpoint=20) guess=read 
geom=checkpoint test

run IRC to see if the LST generated and TS_optimized  transition state 
really connects the starting materia and the product.

0 1

	So is this a bug of G94 but not of G92?

	Thanks in advance!!!
		
 xiaopeng

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