From owner-chemistry@ccl.net Sun Jul 15 05:02:01 2007 From: "Mike hang mikehang2007*|*yahoo.com" To: CCL Subject: CCL:G: Assignment of vibrational frequencies Message-Id: <-34741-070714074105-3986-eFlu6LBm7LPdrndBuUhQ5w]^[server.ccl.net> X-Original-From: Mike hang Content-Transfer-Encoding: 8bit Content-Type: multipart/alternative; boundary="0-378901631-1184413252=:5887" Date: Sat, 14 Jul 2007 04:40:52 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Mike hang [mikehang2007]-[yahoo.com] --0-378901631-1184413252=:5887 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear CCL users There has recently been lot of discussions on software that enable visualization of vibrational frequencies. Assigning the modes of vibration to vibrational frequencies are sometime quite difficult for large molecules even when using visualization. Gaussian 03 normally generates symmetry for each frequency. Is there a website or books that provide explanation on the symmetries relating the assignment of the mode of vibrations. oR is there any software that can automatically read the assignment of the mode of vibrations corresponding to each frequency! thanks you all for previous replies, especially to Shobe, David for his explanation on symmetry --------------------------------- Looking for a deal? Find great prices on flights and hotels with Yahoo! FareChase. --0-378901631-1184413252=:5887 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear CCL users

There has recently been lot of discussions on software that enable visualization of vibrational frequencies. Assigning the modes of vibration to vibrational frequencies are sometime quite difficult for large molecules even when using visualization. Gaussian 03 normally generates symmetry for each frequency.  Is there a website or books that provide explanation on the symmetries relating the assignment of the mode of vibrations. oR is there any software that can automatically read the assignment of  the mode of vibrations corresponding to each frequency!

thanks you all for previous replies, especially to Shobe, David for his explanation on symmetry

Looking for a deal? Find great prices on flights and hotels with Yahoo! FareChase. --0-378901631-1184413252=:5887--