Bob, Do you mean in the Jmol development files or a more generic system?
The benchmark database at NIST has computational results for some molecules using: http://cccbdb.nist.gov/ Or are you interested in the database of basis sets: https://bse.pnl.gov/bse/portal Or something else? Jonathan On 8/24/16 4:13 AM, [email protected] wrote: > Date: Tue, 23 Aug 2016 06:27:43 -0500 > From: Robert Hanson <[email protected]> > Subject: [Jmol-users] database of Gaussian or other > To: "[email protected]" > <[email protected]> > Message-ID: > <CAF_YUvXq6u94-qvCWbGp3=thjja1an3lgbs5+dbt4uqtrvy...@mail.gmail.com> > Content-Type: text/plain; charset="utf-8" > > Someone remind me where the database of common compounds is that has > wavefunctions -- Spartan, Gaussian, anything Jmol can read. If it doesn't > exist, can someone make that? > > Bob -- Dr. Jonathan H. Gutow Chemistry Department [email protected] UW-Oshkosh Office:920-424-1326 800 Algoma Boulevard FAX:920-424-2042 Oshkosh, WI 54901 http://www.uwosh.edu/facstaff/gutow/ ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
