CCL: IR/Raman Spectra of Minerals

 Sent to CCL by: "Jim Kress" [ccl_nospam%x%kressworks.com]
 I'd use ORCA
 http://www.thch.uni-bonn.de/tc/orca/
 Jim
 > -----Original Message-----
 > From: owner-chemistry+ccl_nospam==kressworks.com^^^ccl.net
 > [mailto:owner-chemistry+ccl_nospam==kressworks.com^^^ccl.net] On Behalf
 > Of Arindam Ganguly arindamganguly-x-gmail.com
 > Sent: Thursday, September 22, 2011 11:06 AM
 > To: Kress, Jim
 > Subject: CCL: IR/Raman Spectra of Minerals
 >
 >
 > Sent to CCL by: "Arindam  Ganguly" [arindamganguly|a|gmail.com]
 Deal CCL
 > Users, Good morning and hope this messages reaches you all well. Is anyone
 > aware of a computaional tool to predict the IR/Raman spectra of Minerals.
 >
 > I came across the following Caltech Database on Minerals
 http://rruff.info/
 > was looking for tools to predict the IR/Raman Spectra. Thank you.
 >
 > Sincerely,
 > ArindamTo
 > recover the email address of the author of the message, please change the
 > strange characters on the top line to the ^^^ sign. You can also look up
 the
 X-
 > Original-From: line in the mail header.>