CCL:G: Using B3LYP + D3 in Gaussian

 Sent to CCL by: =?iso-8859-2?Q?Mariusz_Rado=F1?= [mariusz.radon%x%uj.edu.pl]
 > On 16 May 2022, at 20:30, Andrew DeYoung andrewdaviddeyoung ~~ gmail.com
 <owner-chemistry!=!ccl.net> wrote:
 >
 > Hi,
 >
 > I'm running Gaussian 16 (rev. C).  Does anyone know if it is possible to
 use the B3LYP + D3 functional in Gaussian?  I don't see it listed in the
 documentation ( https://gaussian.com/dft/ ) as a built-in method.  I tried,
 for example:
 >
 > # Opt B3LYPD3/6-31G(d,p)
 >
 > and
 >
 > # Opt B3LYP+D3/6-31G(d,p)
 >
 > but Gaussian gives me syntax errors.  Does anyone know how to use the B3LYP
 + D3 functional in Gaussian?
 >
 > Thanks,
 > Andrew
 >
 > Andrew DeYoung, PhD
 > Department of Chemistry
 > Carnegie Mellon University
 Dear Andrew:
 Yes of course it is possible. Take a look at EmpiricalDispersion keyword (DFT
 Methods -> More).
 Best wishes,
 Mariusz
 --
 Mariusz Radon, Ph.D., D.Sc.
 Associate Professor
 Faculty of Chemistry, Jagiellonian University
 Address: Gronostajowa 2, 30-387 Krakow, Poland
 Room C1-06, Phone: 48-12-686-24-89
 E-mail: mradon!=!chemia.uj.edu.pl (mariusz.radon!=!uj.edu.pl)
 Web: https://tungsten.ch.uj.edu.pl/~mradon
 ORCID: https://orcid.org/0000-0002-1901-8521