Subject: PCM calculations - transition state structure

From: "ManojKumar T. K." <manojkumar_tk:at:yahoo.com>
Date: Thu, 15 Jul 2004 08:34:59 -0700 (PDT)

Hi all,

I have problem with PCM calculations (optimization) 

of a transition state structure. (b3lyp/6-311++G** solvent=water)

When optimizing using Gaussian-03, I am getting following error

UA0: Hydrogen    9 is unbound. Keep it explicit at all point on the

UA0: potential energy surface to get meaningful results

The error is coming with the  sphereonH=9  also.

It would be a great help for me, if some one can 

suggest me a solution for this.

Sincerely

Manojkumar

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