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		<title><![CDATA[Multiwfn forum / TrESP Charges for CASSCF]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=239</link>
		<description><![CDATA[The most recent posts in TrESP Charges for CASSCF.]]></description>
		<lastBuildDate>Thu, 07 Nov 2019 16:43:14 +0000</lastBuildDate>
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			<title><![CDATA[Re: TrESP Charges for CASSCF]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=735#p735</link>
			<description><![CDATA[<p>Dear Sayan,</p><p>Unfortunately, it seems that this is not possbile. Gaussian is not able to generate transition density between the ground state and excited state calculated by CASSCF (the density=transition=x keyword is only available for CIS-like methods). I am not sure about the case of ORCA, but is seems that ORCA can&#039;t do this either.</p><p>Best regards,</p><p>Tian</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Thu, 07 Nov 2019 16:43:14 +0000</pubDate>
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			<title><![CDATA[TrESP Charges for CASSCF]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=732#p732</link>
			<description><![CDATA[<p>Hi Tian,</p><p>Multiwfn helped a lot to extract TrESP charges using ORCA and GAUSSIAN for my project. Thanks for your suggestion and discussion.</p><p>Now I am wondering if it is possible to extract TrESP charges based on some CASSCF or RASSCF calculations using ORCA or GAUSSIAN..? The output file for&#160; CASSCF in ORCA is not the same compared to a standard TDDFT calculation. This is a problem. Could you please let me know if there is any possibility to get TrESP charges based on CASSCF calculation..?</p><p>Regards,<br />Sayan</p>]]></description>
			<author><![CDATA[dummy@example.com (sayan307)]]></author>
			<pubDate>Thu, 07 Nov 2019 10:42:51 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=732#p732</guid>
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