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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Dear Rameswar,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">You need to use the largest Abelian subgroup.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">For D6H this would be D2H<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Kind regards<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Alex<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> Molpro-user [mailto:molpro-user-bounces@molpro.net]
<b>On Behalf Of </b>Rameswar Bhattacharjee<br>
<b>Sent:</b> 16 June 2014 15:10<br>
<b>To:</b> molpro-user@molpro.net<br>
<b>Subject:</b> [molpro-user] Regarding excited state property of high symmetric system<o:p></o:p></span></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt">Dear all molpro users<o:p></o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt">I want to calculate some excited state property of benzene(D6H) like excited state electroni configuration ,excitation energy from ground state to a particular symmetric electronic state.But Since
<em>MOLPRO</em> can handle only point-groups.So How can I handle high symmetric molecule like D6H system ,Td System,Oh system.<o:p></o:p></p>
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<p class="MsoNormal">Please give me some suggestion.All suggestion will be highly appreciated.Thank you.<o:p></o:p></p>
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-- <o:p></o:p></p>
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<p class="MsoNormal"><span style="font-size:13.5pt">---------------------------------------------------------------------------------------------<b><br>
"The man who makes no mistakes does not usually make anything."</b></span><o:p></o:p></p>
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<p class="MsoNormal"><b><span style="font-size:13.5pt;font-family:"New York","serif""> Edward John Phelps (1822-1900)</span></b><o:p></o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><span style="font-size:13.5pt">---------------------------------------------------------------------------------------------<br>
<br>
Rameswar Bhattacharjee<br>
Junior Research Fellow<br>
Dept. of Spectroscopy<br>
Indian Association for the Cultivation of Science<br>
Jadavpur, Kolkata-32</span><o:p></o:p></p>
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