Subject: CCL: H atom in scrf/pcm calculation

From: Ian Hovell <HOVELL..at..cetem.gov.br>
Date: Wed, 16 Jul 2003 12:57:39 -0300

Good Morning,
Has anyone tried placing a single H atom in a SCRF/PCM calculation? My job
(Gaussian98w) fails stating that there is no nuclei in the second cavity.
Any ideas.

Ian Hovell 

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 7344 ou 3865 - 7216 
Fax 00 55 (xx) 22602837 ou 2290-4286 
e-mail hovell..at..cetem.gov.br