From owner-chemistry {*at*} ccl.net Wed Jul 10 19:51:01 2019 From: "David Shobe shobedavid-,-gmail.com" To: CCL Subject: CCL:G: How to add polarization and diffuse functions to SDD in Gaussian 09? Message-Id: <-53787-190710194941-31450-+kLRHPYrfJDI8PzOibj/hg * server.ccl.net> X-Original-From: David Shobe Content-Type: multipart/alternative; boundary="00000000000064f385058d5c543e" Date: Wed, 10 Jul 2019 18:49:22 -0500 MIME-Version: 1.0 Sent to CCL by: David Shobe [shobedavid_-_gmail.com] --00000000000064f385058d5c543e Content-Type: text/plain; charset="UTF-8" Polarization and diffuse functions have been published for lanl2dz ecp. Can you use lanl2dz for your study? Or is sdd your only option? On Wed, Jul 10, 2019, 6:28 PM Mo Fateh mo.fateh-x-yahoo.com < owner-chemistry[*]ccl.net> wrote: > > Sent to CCL by: "Mo Fateh" [mo.fateh{}yahoo.com] > Dear CCL membetrs, > > How to add polarization and diffuse functions to SDD in Gaussian 09? I > have > checked these website but I couldnot find a solution for this severe > problem. > > https://www.basissetexchange.org/ > > https://gaussian.com/gen/ > > With thanks, > Mo> > > --00000000000064f385058d5c543e Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Polarization and diffuse functions have been publish= ed for lanl2dz ecp. Can you use lanl2dz for your study? Or is sdd your only= option?



On Wed, Jul 10, 2019, 6:28 PM Mo Fateh mo.fateh-x-yahoo.com <owner-chemistry[*]ccl.net> wrote:<= br>

Sent to CCL by: "Mo=C2=A0 Fateh" [mo.fateh{}yahoo.com]
Dear CCL membetrs,

How to add polarization and diffuse functions to SDD in Gaussian 09? I have=
checked these website but I couldnot find a solution for this severe
problem.

https://www.basissetexchange.org/

https://gaussian.com/gen/

With thanks,
Mo



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