Subject: SCRF=PCM

From: [email-masked] (M. Hoelscher)
Date: Mon, 14 Jan 2002 20:27:12 +0100

Hi folks,

I have run some geometry optimisations using B3LYP/Gen SCRF=(PCM,Solvent=8) OPT 
with no problem (at least not that I am aware of). 

On some other molecules (which are chemically absolutely identic, just different 
conformers) the calculation aborts with a statement like: Maximum number of 
bonds =12 on atom 1 exceeded.

Does anyone have an idea of how to get around this problem?

Thanx in advance for your help, Markus

Dr. Markus Hölscher
Institute for Technical Chemistry 
and Makromolekular Chemistry
University of Technology, Aachen
Germany

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