CCL:G: software

 Sent to CCL by: "Sten Nilsson Lill" [stenil===chem.gu.se]
 Hi Daniel,
 in Chemcraft
 check under Tools/Show parameters table
 Then just copy to your favorite program handling spreadsheets.
 Chemcraft gives you all bond lengths and angles but not dihedral angles as
 far as I could see. Another thing I could not do was to pick out a
 selection of atoms. If your molecule is big you will get a lot of data in
 your table that you might have to process once more to reduce the info you
 want in your publication.
 Hope this helps,
 Sten
 > Hi:
 >
 >
 >
 > I downloaded ChemCraft and tried it, but I could not find how
 >
 > to render a table (not a picture)  and how to make it suitable
 >
 > for publication. Any hints will be appreciated.
 >
 >
 >
 > Best regards,
 >
 >
 >
 >                           Daniel
 >
 >
 >
 > De: owner-chemistry~~ccl.net [mailto:owner-chemistry~~ccl.net]
 > Enviado el: Sábado, 02 de Agosto de 2008 07:42 a.m.
 > Para: Glossman-Mitnik, Daniel
 > Asunto: CCL:G: software
 >
 >
 >
 > chemcraft can do it
 >
 > On 02/08/2008, Dr. Daniel Glossman-Mitnik dglossman-.-gmail.com
 > <owner-chemistry===ccl.net> wrote:
 >
 > Dear netters:
 >
 >
 >
 > Does anyone know about a program that can take the output of a
 >
 > Gaussian run for the molecular structure and render a table with
 >
 > bond lengths, angles and dihedrals, suitable for publication?
 >
 >
 >
 > Thanks in advance,
 >
 >
 >
 >                                Daniel Glossman-Mitnik
 >
 >
 >
 > E-mail:  dglossman#gmail.com
 >
 >
 >
 >
 >
 >
 > --
 > Dr. Zaki Safi
 >
 > Assist. Prof. of Quantum Chemistry,
 > Chemistry Department,
 > Faculty of Science,
 > Al Azhar University-Gaza
 > P.O. Box 1277 Gaza,
 > Palestinian Authority
 >
 > Tel: 00970-8-2824010/20, Ext:1163,
 > Fax: 00970-8-2823180.
 > mobile: 0970-59-9729443
 >
 > E-mail: z.safi===alazhar-gaza.edu
 > safizaki===hotmail.com
 >
 >
 Ph. D. Sten Nilsson Lill
 Dep. of Chemistry
 Göteborg University
 Kemigården 4
 S-412 96 Göteborg, Sweden
 Phone: +46-31-772 2901
 Fax: +46-31-772 3840
 E-mail: stenil^chem.gu.se
 Alternative e-mail: slill1^lsu.edu