From owner-chemistry@ccl.net Sun Nov 17 01:00:01 2013 From: "Mohan maruthi sena maruthi.sena _ gmail.com" To: CCL Subject: CCL: How to use dispersion corrected B97-D with def2-SVP basis set Message-Id: <-49345-131117005841-25051-moTrz0eveErEn1wLqpdiiA^^^server.ccl.net> X-Original-From: Mohan maruthi sena Content-Type: multipart/alternative; boundary=f46d043be1a631f94904eb591fbe Date: Sun, 17 Nov 2013 11:28:34 +0530 MIME-Version: 1.0 Sent to CCL by: Mohan maruthi sena [maruthi.sena,,gmail.com] --f46d043be1a631f94904eb591fbe Content-Type: text/plain; charset=ISO-8859-1 Hello Sir, I am naive user of g09, I want to use dispersion corrected B97-D with def2-SVPFIT basis set. When I give input as following in .com file , #opt B97-D/def2-svpfit It is giving error stating unknown key word. How to give input to include above mentioned basis set in .com file. Thanks for a reply in advance, Mohan --f46d043be1a631f94904eb591fbe Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable

Hello Sir,

=A0=A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0=A0=A0=A0 I am naive user of g09, I want to use=A0 disper= sion corrected B97-D with def2-SVPFIT basis set. When I give input as follo= wing in .com file ,

#opt B97-D/def2-svpfit

=A0It is giving error stating unknown key wor= d.=A0 How to give input to include above mentioned basis set in .com file.<= br>

Thanks for a reply in advance,

Mohan

--f46d043be1a631f94904eb591fbe-- From owner-chemistry@ccl.net Sun Nov 17 11:20:01 2013 From: "Jim Kress ccl_nospam|kressworks.com" To: CCL Subject: CCL:G: How to use dispersion corrected B97-D with def2-SVP basis set Message-Id: <-49346-131117101930-2506-ttpvJCbchIGac3BQn+J/7g__server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_000F_01CEE37E.7C7B6890" Date: Sun, 17 Nov 2013 10:19:22 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam-.-kressworks.com] This is a multipart message in MIME format. ------=_NextPart_000_000F_01CEE37E.7C7B6890 Content-Type: text/plain; charset="us-ascii" Content-Transfer-Encoding: 7bit Did you try: http://www.gaussian.com/g_tech/1.htm ? Jim > From: owner-chemistry+ccl_nospam==kressworks.com_-_ccl.net [mailto:owner-chemistry+ccl_nospam==kressworks.com_-_ccl.net] On Behalf Of Mohan maruthi sena maruthi.sena _ gmail.com Sent: Sunday, November 17, 2013 12:59 AM To: Kress, Jim Subject: CCL: How to use dispersion corrected B97-D with def2-SVP basis set Hello Sir, I am naive user of g09, I want to use dispersion corrected B97-D with def2-SVPFIT basis set. When I give input as following in .com file , #opt B97-D/def2-svpfit It is giving error stating unknown key word. How to give input to include above mentioned basis set in .com file. Thanks for a reply in advance, Mohan ------=_NextPart_000_000F_01CEE37E.7C7B6890 Content-Type: text/html; charset="us-ascii" Content-Transfer-Encoding: quoted-printable

Did you try:

http://www.gaussian.com/g_tech/1.htm

Jim

From: = owner-chemistry+ccl_nospam=3D=3Dkressworks.com_-_ccl.net = [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com_-_ccl.net] On = Behalf Of Mohan maruthi sena maruthi.sena _ = gmail.com
Sent: Sunday, November 17, 2013 12:59 = AM
To: Kress, Jim
Subject: CCL: How to use = dispersion corrected B97-D with def2-SVP basis = set

Hello Sir,

= I am naive user of g09, = I want to use dispersion corrected B97-D with def2-SVPFIT basis = set. When I give input as following in .com file , =

#opt B97-D/def2-svpfit

It is = giving error stating unknown key word. How to give input to = include above mentioned basis set in .com file.

Thanks for a reply in = advance,

Mohan

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