CCL:G: How to visualize normal modes



I wrote a program a long time ago that read the equilibrium cartesian
 coordinates and cartesian displacements from a modified gaussian output
 file, that would then generate a series of displaced geometries by adding
 something like -1.0*displaced x coord to equilibrium x coord and so on for
 all coords of all atoms, then -0.90*displaced x coord to equilibrium x
 coord, through 0.10**d*displaced x coord to equilibrium x to 1.0**displaced
 x coord to equilibrium x coord and so generate 21 new structures each with
 a different displacement along the selected normal mode. I used an ancient
 vizualization tool called xmol to animate these. I do recall there was some
 small controversy about how the displacements that gaussian printed out
 were normalized, but I am no linger sure of the details on this.  There is
 a small chance I still have this fortran code somewhere but it has been
 more or less 20 years ago.
 Steve Williams
 On Sun, Oct 21, 2018 at 7:05 AM Mark Andreww Zottola mzottola ~~ gmail.com <
 owner-chemistry .. ccl.net> wrote:
 >
 > Sent to CCL by: "Mark Andreww Zottola" [mzottola]|[gmail.com]
 > I can use any of a number of good visualization software to observe the
 > normal
 > modes from a qm calculation.  However, if I want to generate a series of
 > structures from that normal mode calculation, I receive the frequency, the
 > intensity of the transition and a set of cartesian displacements.
 >
 > It is the last that I do not understand.  Given the equilibrium geometry,
 > what
 > should I do to generate coordinate files?  Are these vectors to be added
 > together?  Or are these meant to be a cross product? Perhaps something
 > else?
 >
 > I just want to consider creating a multi-conformer file based on normal
 > modes.
 >  I am simply looking for a direction in order to move forward.
 >
 > Thanks.>
 >
 >