From owner-chemistry@ccl.net Tue Dec 25 18:20:01 2018 From: "Michael Morgan michaelmorgan937]![gmail.com" To: CCL Subject: CCL:G: def2sv and def2svpp in gaussian Message-Id: <-53574-181225181831-13378-CEMaGiXyV9i/lY0wCymHiQ|server.ccl.net> X-Original-From: "Michael Morgan" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_003D_01D49C75.D90BC180" Date: Tue, 25 Dec 2018 17:18:25 -0600 MIME-Version: 1.0 Sent to CCL by: "Michael Morgan" [michaelmorgan937!A!gmail.com] This is a multipart message in MIME format. ------=_NextPart_000_003D_01D49C75.D90BC180 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Dear all, Are def2sv and def2svpp basis sets the same in Gaussian? Form manual, "Def2SVPP corresponds to the "def2-SV(P)" basis set". So I guess def2sv is without polarization but Def2svpp has polarization on heavy atoms but not H. However it seems test run with both basis sets generate the same results. Do I misunderstand something there? Thanks. Michael ------=_NextPart_000_003D_01D49C75.D90BC180 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Dear all,

 

Are def2sv = and def2svpp basis sets the same in Gaussian?

 

Form = manual, "Def2SVPP corresponds to the "def2-SV(P)" basis = set". So I guess def2sv is without polarization but Def2svpp has = polarization on heavy atoms but not H. However it seems test run with = both basis sets generate the same results. Do I misunderstand something = there?

 

Thanks. =

 

Michael

 

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