Subject: summary of Plot freq. from Gaussian

From: <[email-masked]>
Date: Tue, 27 Jun 1995 11:42:54 +0100 (CET)

Dear Net-ters
   here are the answers which I received to my request about a program
to plot vibrational frequencies directly from Gaussian  output.
I did not include all the request of sharing informations (about as many
as the answers) 
Thanks 
Ciao
Carlo 

-------------------------------------------------------------------------------
  Carlo Adamo                      | tel. +39-81-5476504
  Dipartimento di Chimica          | fax  +39-81-5527771
  via Mezzocannone 4               | e-mail [email-masked]
  I-80134 Napoli                   |
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From:	IN%"[email-masked]"  "Dimitris Agrafiotis" 21-JUN-1995 18:27:47.82

I once wrote such a program using GKS primitives. The results are
shown in some of my papers with Henry Rzepa and Andy Streitwieser.
I abandoned GKS a long time ago. If you have access to it, I could
dig the program out for you. You might be better off using a more
comprehensive molecular graphics package, though.

Ciao,

-- 
Dimitris K. Agrafiotis, PhD             | e-mail: [email-masked]
3-Dimensional Pharmaceuticals, Inc.     | tel:    (610) 458-6045
665 Stockton Drive, Suite 104           | fax:    (610) 458-8249
Exton, PA 19341

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From:	IN%"[email-masked]"  "Michael Doyle" 21-JUN-1995 23:32:54.04

Dear Carlo 

I would strongly suggest that you look into the Gaussian interface of
Molecular Simulations. Although it is not freeware, the quality and the fact
that it was designed by Gassian Inc. (Mike & Aeleen Frisch) to exploit all the
functionality of G92-94. Make it an excellent software tool for this
application.

Yours 

Michael j. Doyle

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From:	IN%"[email-masked]"  "Magan Govender - PG" 22-JUN-1995 11:46:19.46

Hi....
I have a program called Vibratio,
you can ftp at www.ccl.net in the
pub/chem/software dir... We are also
using shakal program which gives indeed
excellent plots. I can give you more info
if required, however schakal is not shareware:(..

Greetings from South Africa!!!

______________________________________________________________________

M.G. Govender
Centre for Theoretical and Computational Chemistry
Dept of Chemistry
University of Natal
King George V Avenue
Durban                              
South Africa                                                          

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From:	IN%"[email-masked]"  "Computational Chemistry" 22-JUN-1995 19:04:31.24

Cerius2 from Molecular Simulations does exactly what youwant in release 1.6 
under the G92 card. However it is not freeware. You may want to find out
if somebody else is using it on campus where you can access it.

Savant 
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Hi,

  there is "xvibs" program that extract frequencies from the gauss out file
and generate xyz file which can be read by "xmol". Both programs can be found
at the CCL archive, but they, as I know, run under unix. Hope this helps.

   Sanja

-- 
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Sanja Sekusak                         e-mail: [email-masked]
Rudjer Boskovic Institute             phone: (385-1) 46 10 89
HR-41001 Zagreb, CROATIA              fax: (385-1) 27 26 48           
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		Dear Netter,

there shall by the possibiltity to visualize the IR-frequencies using
HyperChem. This is described in a book :

Exploring chem. with electronic structure methods, Foresman, Frisch,
Gaussian Inc
ISBN #0-9636769-0-3

This is also a good guide to learn how to use this program.

			Bye, AHG...
---------------------------------------------------------------
   Andreas Goeller               Computer Chemie Centrum der
   Dipl.-Chem.    	        Universitaet Erlangen/Nuernberg
                                      Naegelsbachstr. 25
phone: +49(0)9131-856583               D-91052 Erlangen 
  fax: +49(0)9131-856565                   Germany
email: [email-masked]      
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                  THANKS AGAIN