Subject: Gaussian TS optimization

From: Peking <[email-masked]>
Date: Mon, 22 Jan 1996 14:55:56 -0500 (EST)

Dear nettlers,

	I am wondering if there is a way in Gaussian94 or Gaussian92 to 
do the following.

	First, use QST or LST to get a guess structure of a saddle point. 
Then use "fopt" or "opt" with the option of =ts. try to get a first order 
saddle point(of course if it gives us, we need to do frequency 
calculation to confirm). However, I ran into a lot of "error termination" 
with the message "Wrong number of Negative eigenvalues: Desired =1 Actual=n"
n is a positive integer, sometimes,2 ,sometimes 3,etc. I know this means 
that the starting point is not good enough . 

	What I am wondering is : is there a way to ask Gaussian92 or 94 
to continue the optimization without changing the initial guess 
structure? Since although you change the coefficient when you use LST or 
QST, it does not help either, and still got the "error termination message".

	I bumped a lot of this case. I thought it should not be so....

	Thanks a million in advance!	

xiaopeng

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