CCL: Dipole derivative unit vector



 Sent to CCL by: George Fitzgerald [George.Fitzgerald(a)accelrys.com]
 Dipole derivatives are used in the calculation of infra-red intensities.
 George Fitzgerald, Ph.D.
 George.Fitzgerald%%accelrys.com
 +1 858 799 5360
 -----Original Message-----
 > From: owner-chemistry+gfitzgerald==accelrys.com%%ccl.net [mailto:owner-chemistry+gfitzgerald==accelrys.com%%ccl.net]
 On Behalf Of Gabriela Arias De la Rosa gabriela.arias*yorkmail.cuny.edu
 Sent: Wednesday, December 04, 2013 12:58 PM
 To: George Fitzgerald
 Subject: CCL: Dipole derivative unit vector
 Sent to CCL by: "Gabriela  Arias De la Rosa"
 [gabriela.arias]=[yorkmail.cuny.edu]
 Can anyone please tell me what is the purpose of a Dipole derivative unit
 vector? I am using Gaussview to analyze vibrational modes and I saw that
 function, but I am not sure for what this function is used.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt