CCL:G: vibrational frequency output of GO3W

 Sent to CCL by: "Jim Kress" [ccl_nospam^_^kressworks.com]
 You know, if you give GAMESS a set of internal coordinates (like a Z
 matrix), it will do this for you automatically.  All you have to do is use
 the PRTIFC and VIBANL functions in $FORCE, making sure you supply the
 complete set of internal coordinates in $ZMAT.
 Jim
 > -----Original Message-----
 > From: errol lewars elewars^-^trentu.ca
 > [mailto:owner-chemistry-*-ccl.net]
 > Sent: Sunday, September 03, 2006 10:57 AM
 > To: Kress, Jim
 > Subject: CCL:G: vibrational frequency output of GO3W
 >
 > Sent to CCL by: errol lewars [elewars!=!trentu.ca]
 > 2006 Sept 3
 >
 > Hello,
 >
 > If what you mean is that you want to see what kind of atomic
 > motion each vibrational frequency corresponds to (stretch,
 > bend, torsional, or some combination of these), then you
 > should use a program that can animate the vibrations, such as
 > GaussView; there are also free programs that can do this. You
 > may be able to puzzle out the motions from the "direction
 > vectors" (Cartesian components of the atomic motions) that
 > Gaussian prints out, but this is much less satisfactory.
 >
 > E. Lewars
 > ====
 >
 >
 > neeraj misra misraneeraj/./gmail.com wrote:
 >
 > >Sent to CCL by: "neeraj  misra" [misraneeraj#,#gmail.com]
 > Dear ccl'ers,
 > >I would be grateful if someone of you could advise me how to
 > pick up the assignments (potential energy distributions) in
 > the vibrational analysis output of a gaussian 03 W run.I have
 > done the vibrational analysis but how to know that which mode
 > (i.e stretch, angle bend, wag, torsion) is having significant
 > contribution at a particular frequency.Anyone who can explain
 > with a gaussian vibrational freq example would be a big
 > help.I realise its a trivial question but it does matter to
 > someone like me who has just started in this.
 > >                               thanks in advance
 > >                                                  neeeraj>
 > >
 > >
 > >
 > >
 >
 >
 >
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