Subject: CCL: Connect 2 benzene rings and optimise

From: Ian Hovell <HOVELL-.at.-cetem.gov.br>
Date: Fri, 23 May 2003 10:17:52 -0300

Dear CCLers,
If you connect two aromatic rings with a short hydrocarbon chain (3 carbons)
and put it to optimise using HF/3-21g in gaussian98 it does not finish.
There must be a simple explaination but I can't see it at the moment.
Any ideas? 
Ian Hovell - Ph.D. 
NUCLEO DE MODELAGEM MOLECULAR-NMM 
Centro de Tecnologia Mineral - CETEM 
Ministerio da Cijncia e da Tecnologia- MCT 
Avenida Ipj, No 900 - Cidade Universitaria 
Ilha do Fundco Rio de Janeiro RJ Brasil 
CEP 21941-590 
tel 00 55 (xx) 3865 - 7216 
Fax 00 55 (xx) 22602837 ou 2290-4286 
e-mail hovell-.at.-cetem.gov.br