<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Denis,<div class=""><br class=""></div><div class="">I already have this problem, and I solved it by using cartesian in place of Z-matrix coordinates</div><div class=""><br class=""></div><div class="">Best wishes,</div><div class=""><br class=""></div><div class="">Jacky<br class=""><div class="">
<div class="">_____________________________________<br class="">Prof. Jacky Liévin<br class="">Service de Chimie Quantique et Photophysique<br class="">Université Libre de Bruxelles, CPi 160/09<br class="">50 av F.D. Roosevelt<br class="">B-1050 Bruxelles<br class="">Belgium<br class="">Tel: +32-2-650 4089<br class="">Fax: +32-2-650 4232<br class="">_____________________________________</div>
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<br class=""><div><blockquote type="cite" class=""><div class="">Le 14 déc. 2017 à 17:16, Denis DUFLOT <<a href="mailto:denis.duflot@univ-lille1.fr" class="">denis.duflot@univ-lille1.fr</a>> a écrit :</div><br class="Apple-interchange-newline"><div class="">
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<div text="#000000" bgcolor="#FFFFFF" class=""><p class=""><tt class="">Dear molpro users,</tt></p><p class=""><tt class="">I reported the same issue 4 years ago with a completely different
level of calculation :</tt></p><p class=""><a class="moz-txt-link-freetext" href="http://www.molpro.net/pipermail/molpro-user/2013-November/005757.html">http://www.molpro.net/pipermail/molpro-user/2013-November/005757.html</a></p><p class="">Since then I have not been able to solve this problem except for
very small molecules. It persists in molpro 2015.</p><p class="">Sincerely yours,</p><p class="">Denis<br class="">
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<title class=""></title><p class="MsoNormal">********************************************************************************************************<o:p class=""></o:p><br class="">
Dr Denis Duflot<br class="">
Maître de Conférences HDR/<span class="SpellE">Associate</span>
<span class="SpellE">Professor</span><o:p class=""></o:p><br class="">
Université de Lille, Laboratoire de Physique des Lasers, Atomes
et Molécules, UMR CNRS 8523 Bâtiment P5<br class="">
F-59655 Villeneuve d'Ascq Cedex, France<o:p class=""></o:p><span class="GramE"><br class="">
e-mail</span> : <a class="moz-txt-link-abbreviated" href="mailto:Denis.Duflot@univ-lille1.fr">Denis.Duflot@univ-lille1.fr</a><br class="">
Tél : (33) 3 20 43 49 80<br class="">
Fax : (33) 3 20 43 40 84<o:p class=""></o:p><br class="">
<a class="moz-txt-link-freetext" href="https://www.researchgate.net/profile/Denis_Duflot/">https://www.researchgate.net/profile/Denis_Duflot/</a><o:p class=""></o:p><br class="">
<a class="moz-txt-link-freetext" href="http://phlam.univ-lille1.fr/spip.php?article54&lang=fr">http://phlam.univ-lille1.fr/spip.php?article54&lang=fr</a><o:p class=""></o:p><br class="">
<span id="cid:part1.54FD39A0.97B2AA82@univ-lille1.fr"><UL-vignetteUL250px.png></span><span style="mso-fareast-language:
FR;mso-no-proof:yes" class=""><span id="cid:part2.A2604169.94D32562@univ-lille1.fr"><LOGOANIMTALL.GIF></span></span></p><p class="MsoNormal">********************************************************************************************************</p>
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