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To: <chemistry(at)ccl.net>
Subject: CCL: calculating triplet excited state pi-pi*
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Date: Fri, 02 Apr 2004 16:14:51 +0900 (KST)
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	<td valign=top style='padding:8pt;'><font size=2><P>Hi, </P>
<P>I&nbsp;tried to calculate triplet excited state pi-pi* of cyclohexenone </P>
<P>at b3lyp/6-31+g(d,p) scf=qc with g98&nbsp;but i only get error termination </P>
<P>so i've&nbsp;tried&nbsp;same method/same level with scf=dm option but </P>
<P>resulted energy differs too much. </P>
<P>Is there any&nbsp;other option that i can use to get normal termination with correct </P>
<P>energy results? </P>
<P>&nbsp;</P>
<P>&nbsp;</P></font></td></tr>
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