From s101264.k4.stud.uni-wuerzburg@wrzn12.rz.uni-wuerzburg.de Wed Mar 11 15:17:11 1998 Received: from alpha1.albany.edu for s101264.k4.stud.uni-wuerzburg@wrzn12.rz.uni-wuerzburg.de by www.ccl.net (8.8.3/950822.1) id OAA15218; Wed, 11 Mar 1998 14:30:26 -0500 (EST) Received: from ch3f153.chem.albany.edu ([169.226.115.200]) by cnsvax.albany.edu (PMDF V5.1-10 #18385) with SMTP id <01IUJKE2JS4S8Y84GE@cnsvax.albany.edu> for chemistry@www.ccl.net; Wed, 11 Mar 1998 14:22:30 EST Date: Wed, 11 Mar 1998 14:25:52 +0000 From: Rolf Claessen Subject: Rolf Claessen's Chemistry Index To: ISOGEOCHEM@LIST.UVM.EDU, chemistry@www.ccl.net, chemweb@ic.ac.uk, CHMINF-L@LISTSERV.INDIANA.EDU, gdch-jungchemiker Reply-to: claessen@chemie.de Message-id: <01IUJKE3R3CI8Y84GE@cnsvax.albany.edu> MIME-version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Priority: normal Because GeoCities is bombarding visitors of the site with advertising I had to move the site to another place. You will find it in future at Rolf Claesssen's Chemistry Index http://members.freepage.de/chemistry/ oder fuer die Deutschen unter Ihnen http://members.freepage.de/chemistry/home_de.htm I will only update this site in the future. Yours Rolf Claessen From Krys.Radacki@ac.rwth-aachen.de Wed Mar 11 16:17:13 1998 Received: from mail.rwth-aachen.de for Krys.Radacki@ac.rwth-aachen.de by www.ccl.net (8.8.3/950822.1) id PAA15493; Wed, 11 Mar 1998 15:32:40 -0500 (EST) Received: from Zosia (zosia.dorf.RWTH-Aachen.DE) by mail.rwth-aachen.de (PMDF V5.1-10 #23726) with SMTP id <01IUJW1S4GMO0000S9@mail.rwth-aachen.de> for chemistry@www.ccl.net; Wed, 11 Mar 1998 19:56:10 +0100 Date: Wed, 11 Mar 1998 19:55:11 +0100 From: Krzysztof Radacki Subject: degenrated imaginary frequencies X-Sender: kradacki@mail.rwth-aachen.de To: chemistry@www.ccl.net Message-id: <3.0.3.32.19980311195511.00795100@mail.rwth-aachen.de> MIME-version: 1.0 X-Mailer: QUALCOMM Windows Eudora Light Version 3.0.3 (32) Content-type: text/plain; charset="us-ascii" Dear CCL-ers, I have quite simple question (but I doesn't know answer :) I've calculate IR spectra for one C5v-molecule with Gaussian. As answer I've become spectrum with two imaginary bands with the same frequencies (symmetry degenrated). How should I interpret it? I've learned that null imaginary frequencies (or minus valuses in forces matrix) means minimum, one imaginary frequence means transition point. What if I have two but degenerated? What if for Td or Oh symmetry I will have three of them? Thanks in advance. Krzys Radacki _________________________---------------------------------------------------- ------------------------- e-mail: Krys.Radacki@ac.RWTH-Aachen.DE --- ---------------------------------------------------------------------------- -