CCL: AIM analysis - Error in CO-value. How to solve it?



I used B3LYP functional and for metal I used def2svp basis set and for other elements 6-31g basis set.

On Tue, Nov 27, 2018, 7:12 PM Satur Calvo Losada asenruhup%hotmail.com <owner-chemistry/./ccl.net wrote:
Dear Kavitha,

Which basis set and DF did you use?


Enviado desde Outlook<http://aka.ms/weboutlook>


________________________________
De: owner-chemistry+asenruhup==hotmail.com(a)ccl.net <owner-chemistry+asenruhup==hotmail.com(a)ccl.net> en nombre de Kavitha Velappan kavitha.velappan{=}gmail.com <owner-chemistry(a)ccl.net>
Enviado: martes, 27 de noviembre de 2018 10:03
Para: Calvo-Losada, Saturnino
Asunto: CCL: AIM analysis - Error in CO-value. How to solve it?


Sent to CCL by: "Kavitha  Velappan" [kavitha.velappan*_*http://gmail.com" rel="noreferrer noreferrer" target="_blank">gmail.com]
I have optimized the structure of a metal complex. I have also done
wavefunction calculation. When I try to open the .wfn file I am getting the
following message "error in CO-value". Also suggest a free and user-
friendly software that would be an alternative to AIM2000.



-= This is automatically added to each message by the mailing script =-http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt--_000_DB7P194MB04116CC47B21E14E44490B84BCD00DB7P194MB0411EURP_
Content-Type
: text/html; charset"iso-8859-1"
Content-Transfer-Encoding: quoted-printable

<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p style="margin-top:0;margin-bottom:0">Dear Kavitha,</p>
<p style="margin-top:0;margin-bottom:0">Which basis set and DF did you use?</p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<div id="Signature">
<p>Enviado desde <a href="" href="http://aka.ms/weboutlook" rel="noreferrer noreferrer" target="_blank">http://aka.ms/weboutlook" id="LPNoLP">Outlook</a><br>
</p>
</div>
<br>
<br>
<div style="color: rgb(0, 0, 0);">
<hr style="display:inline-block;width:98%" tabindex="-1">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> owner-chemistry&#43;asenruhup==hotmail.com(a)ccl.net &lt;owner-chemistry&#43;asenruhup==hotmail.com(a)ccl.net&gt; en nombre de Kavitha Velappan kavitha.velappan{=}gmail.com
 &lt;owner-chemistry(a)ccl.net&gt;<br>
<b>Enviado:</b> martes, 27 de noviembre de 2018 10:03<br>
<b>Para:</b> Calvo-Losada, Saturnino <br>
<b>Asunto:</b> CCL: AIM analysis - Error in CO-value. How to solve it?</font>
<div>&nbsp;</div>
</div>
<div class="BodyFragment"><font size="2"><span style="font-size:11pt;">
<div class="PlainText"><br>
Sent to CCL by: &quot;Kavitha&nbsp; Velappan&quot; [kavitha.velappan*_*gmail.com]<br>
I have optimized the structure of a metal complex. I have also done <br>
wavefunction calculation. When I try to open the .wfn file I am getting the <br>
following message &quot;error in CO-value&quot;. Also suggest a free and user-<br>
friendly software that would be an alternative to AIM2000.<br>
<br>
<br>
<br>
-= This is automatically added to each message by the mailing script =-<br<br<br<br>
<br<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message" id="LPlnk985011" class="OWAAutoLink" previewremoved="true"</a><br>
<br<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message" id="LPlnk307255" class="OWAAutoLink" previewremoved="true"</a><br>
<br<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="" href="http://www.ccl.net/chemistry/sub_unsub.shtml" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/chemistry/sub_unsub.shtml" id="LPlnk623377" class="OWAAutoLink" previewremoved="true"</a><br>
<br>
Before posting, check wait time at: <a href="" href="http://www.ccl.net" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net" id="LPlnk157929" class="OWAAutoLink" previewremoved="true">
http://www.ccl.net</a><br>
<br>
Job: <a href="" href="http://www.ccl.net/jobs" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/jobs" id="LPlnk215241" class="OWAAutoLink" previewremoved="true">
http://www.ccl.net/jobs</a> <br>
Conferences: <a href="" href="http://server.ccl.net/chemistry/announcements/conferences/" rel="noreferrer noreferrer" target="_blank">http://server.ccl.net/chemistry/announcements/conferences/" id="LPlnk103446" class="OWAAutoLink" previewremoved="true">
http://server.ccl.net/chemistry/announcements/conferences/</a><br>
<br>
Search Messages: <a href="" href="http://www.ccl.net/chemistry/searchccl/index.shtml" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/chemistry/searchccl/index.shtml" id="LPlnk524080" class="OWAAutoLink" previewremoved="true">
http://www.ccl.net/chemistry/searchccl/index.shtml</a><br>
<br<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; <a href="" href="http://www.ccl.net/spammers.txt" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/spammers.txt" id="LPlnk583756" class="OWAAutoLink" previewremoved="true"</a><br>
<br>
RTFI: <a href="" href="http://www.ccl.net/chemistry/aboutccl/instructions/" rel="noreferrer noreferrer" target="_blank">http://www.ccl.net/chemistry/aboutccl/instructions/" id="LPlnk726637" class="OWAAutoLink" previewremoved="true">
http://www.ccl.net/chemistry/aboutccl/instructions/</a><br>
<br>
<br>
</div>
</span></font></div>
</div>
</div>
</body>
</html>