<div dir="ltr"><div>That's correct, the list of functionals is listed in the manual of each Molpro version. The list of functionals in 2010.1 can be found here:</div><div><br></div><div><a href="http://www.molpro.net/info/2010.1/doc/manual/node190.html">http://www.molpro.net/info/2010.1/doc/manual/node190.html</a></div><div><br></div><div>and for 2012.1 here:</div><div><br></div><div><a href="http://www.molpro.net/info/2012.1/doc/manual/node192.html">http://www.molpro.net/info/2012.1/doc/manual/node192.html</a></div><div><br></div><div>and for 2015.1 here:</div><div><br></div><div><a href="http://www.molpro.net/info/2015.1/doc/manual/node199.html">http://www.molpro.net/info/2015.1/doc/manual/node199.html</a></div><div><br></div><div>Best wishes,</div><div><br></div><div>Andy</div></div><div class="gmail_extra"><br><div class="gmail_quote">On 26 April 2016 at 12:19, Ersin Yurtsever <span dir="ltr"><<a href="mailto:EYURTSEV@ku.edu.tr" target="_blank">EYURTSEV@ku.edu.tr</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p class="MsoNormal">I am trying to use M062X functional on Molpro 2010.1. I used M06-2X which gives an error message.<u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Is it possible that this functional was not defined in that version?<u></u><u></u></p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal"><span>Prof.Dr.Ersin Yurtsever<u></u><u></u></span></p>
<p class="MsoNormal"><span>Koç Üniversitesi, Kimya Bölümü<u></u><u></u></span></p>
<p class="MsoNormal"><span><a href="tel:212-3381874" value="+12123381874" target="_blank">212-3381874</a><u></u><u></u></span></p>
<p class="MsoNormal"><u></u> <u></u></p>
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