<?xml version="1.0" encoding="utf-8"?>
<rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom">
	<channel>
		<atom:link href="http://sobereva.com/wfnbbs/extern.php?action=feed&amp;tid=717&amp;type=rss" rel="self" type="application/rss+xml" />
		<title><![CDATA[Multiwfn forum / IR spectrum:  Error: Unable to load data successfully from this line:]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=717</link>
		<description><![CDATA[The most recent posts in IR spectrum:  Error: Unable to load data successfully from this line:.]]></description>
		<lastBuildDate>Tue, 20 Sep 2022 11:02:36 +0000</lastBuildDate>
		<generator>FluxBB</generator>
		<item>
			<title><![CDATA[Re: IR spectrum:  Error: Unable to load data successfully from this line:]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2729#p2729</link>
			<description><![CDATA[<p>Dear Nancy,</p><p>Multiwfn 3.7 is already quite old. Please try latest version of Multiwfn, if it still doesn&#039;t work, please send the file to my E-mail, I will check.</p><p>Best,</p><p>Tian</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Tue, 20 Sep 2022 11:02:36 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2729#p2729</guid>
		</item>
		<item>
			<title><![CDATA[IR spectrum:  Error: Unable to load data successfully from this line:]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=2728#p2728</link>
			<description><![CDATA[<p>Dear Developers,</p><p>I am using Multiwfn to plot simulated IR spectra calculated with Gaussian, and got the following error in both versions of 3.7 and 3.8 dev:</p><p>Error: Unable to load data successfully from this line:</p><div class="codebox"><pre><code>11
 Select type of the spectrum to plot
 1:IR  2:Raman (or pre-resonance Raman)  3:UV-Vis  4:ECD  5:VCD  6:ROA  7:NMR
 -3: Directional UV-Vis
1
 Recognized as a Gaussian output file
 Error: Unable to load data successfully from this line:
  IR Inten    --  5069.4715               233.7645               150.5274
 Press ENTER button to exit</code></pre></div><br /><p>It is totally fine for all other smaller sizes of molecules. The error happened for the system with 450 atoms. </p><p>Could you please give me some suggestions?</p><p>Kind regards,</p><p>Nancy</p>]]></description>
			<author><![CDATA[dummy@example.com (NancyAMills)]]></author>
			<pubDate>Tue, 20 Sep 2022 01:28:21 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=2728#p2728</guid>
		</item>
	</channel>
</rss>
