[molpro-user] Freq restart problems (Matthias Heger)

[Jacky LIEVIN]

Dear Denis,

I already have this problem, and I solved it by using cartesian in place of Z-matrix coordinates

Best wishes,

Jacky
_____________________________________
Prof. Jacky Liévin
Service de Chimie Quantique et Photophysique
Université Libre de Bruxelles, CPi 160/09
50 av F.D. Roosevelt
B-1050 Bruxelles
Belgium
Tel: +32-2-650 4089
Fax: +32-2-650 4232
_____________________________________

> Le 14 déc. 2017 à 17:16, Denis DUFLOT <denis.duflot at univ-lille1.fr> a écrit :
> 
> Dear molpro users,
> 
> I reported the same issue 4 years ago with a completely different level of calculation :
> 
> http://www.molpro.net/pipermail/molpro-user/2013-November/005757.html <http://www.molpro.net/pipermail/molpro-user/2013-November/005757.html>
> Since then I have not been able to solve this problem except for very small molecules.  It persists in molpro 2015.
> 
> Sincerely yours,
> 
> Denis
> -- 
> ********************************************************************************************************
> Dr Denis Duflot
> Maître de Conférences HDR/Associate Professor
> Université de Lille, Laboratoire de Physique des Lasers, Atomes et Molécules, UMR CNRS 8523 Bâtiment P5
> F-59655 Villeneuve d'Ascq Cedex, France
> e-mail : Denis.Duflot at univ-lille1.fr <mailto:Denis.Duflot at univ-lille1.fr>
> Tél : (33) 3 20 43 49 80
> Fax : (33) 3 20 43 40 84
> https://www.researchgate.net/profile/Denis_Duflot/ <https://www.researchgate.net/profile/Denis_Duflot/>
> http://phlam.univ-lille1.fr/spip.php?article54&lang=fr <http://phlam.univ-lille1.fr/spip.php?article54&lang=fr>
> <UL-vignetteUL250px.png><LOGOANIMTALL.GIF>
> 
> ********************************************************************************************************
> 
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