Subject: representation of normal modes in internal coordinates

From: Han Zuilhof <[email-masked]>
Date: Sat, 02 Sep 1995 23:30:43 +0100 (MET)

Dear CCL Netters,

We are calculating the HF/6-31G* frequencies of large, rigid organic molecules
(adamantane-derivatives) with Gaussian 92. This yields us the normal modes
in cartesian coordinates, but we are interested in getting the normal
modes in internal coordinates to compare our own code for this transformation
with another.

Our questions are:
1) is there a way to tell Gaussian 92 to give the normal modes in
   (some set of) internal coordinates?
2) is this different in Gaussian 94 (to which we have no access yet, but we
   will get it in the near future)?
3) are there other (free) codes available which can do this?

We'll of course summarize responses to the net.
Thanks in advance,

Mark V. Lilichenko
Han Zuilhof

******************************************************************************
**   Dr. Han Zuilhof           **  e-mail: [email-masked]  **
**   Department of Chemistry   **  (optional: [email-masked]) **
**   University of Rochester   **                                           **
**   Rochester, NY, 14627      **  Fax:   (716) 473-6889                    **
**   USA                       **  Voice: (716) 275-2219                    **
******************************************************************************
**                                                                          **
**                        "Excite a photochemist!"                          **
**                                                                          **
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******************************************************************************
**   Dr. Han Zuilhof           **  e-mail: [email-masked]  **
**   Department of Chemistry   **  (optional: [email-masked]) **
**   University of Rochester   **                                           **
**   Rochester, NY, 14627      **  Fax:   (716) 473-6889                    **
**   USA                       **  Voice: (716) 275-2219                    **
******************************************************************************
**                                                                          **
**                        "Excite a photochemist!"                          **
**                                                                          **
******************************************************************************