From owner-chemistry@ccl.net Thu Aug 17 19:18:00 2017 From: "Leila Cardoso Carvalho leilacardoso.quim!^!gmail.com" To: CCL Subject: CCL:G: Base split valence in Gaussian Message-Id: <-52928-170817170256-10905-U1omvh3cYTJlDvON0M9U2w() server.ccl.net> X-Original-From: "Leila Cardoso Carvalho" Date: Thu, 17 Aug 2017 17:02:54 -0400 Sent to CCL by: "Leila Cardoso Carvalho" [leilacardoso.quim:gmail.com] Dear! I'm working with Gaussian and I'm having difficulty with the input of the base SVP + sp because it gives an error in the command. Can you suggest the input command used to run the base SVP + sp in the Gaussian 03 to optimize the geometry of a molecule? Thankful, Leila leilacardoso.quim-#-gmail.com Universidade Federal do Oeste da Bahia-UFOB Rua Professor Jos Seabra de Lemos, 316. Recanto dos Pssaros. CEP: 47808-021 Barreiras BA Fone: 77 3614-3196 From owner-chemistry@ccl.net Thu Aug 17 23:48:00 2017 From: "dipankar roy theodip+*+gmail.com" To: CCL Subject: CCL:G: Base split valence in Gaussian Message-Id: <-52929-170817224630-4886-bM95Pj20YqoiXT9WZ6xG9Q^^^server.ccl.net> X-Original-From: dipankar roy Content-Type: multipart/alternative; boundary="001a11375f767892f00556fe228a" Date: Thu, 17 Aug 2017 20:46:22 -0600 MIME-Version: 1.0 Sent to CCL by: dipankar roy [theodip * gmail.com] --001a11375f767892f00556fe228a Content-Type: text/plain; charset="UTF-8" Hi, You gen get basis set from EMSL basis set exchange form. best, Dipankar Virus-free. www.avast.com <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2> ----------------------------------- Dipankar Roy *PhD* On Thu, Aug 17, 2017 at 3:02 PM, Leila Cardoso Carvalho leilacardoso.quim!^! gmail.com wrote: > > Sent to CCL by: "Leila Cardoso Carvalho" [leilacardoso.quim:gmail.com] > Dear! > > I'm working with Gaussian and I'm having difficulty with the input of the > base SVP + sp because it gives an error in the command. Can you suggest the > input command used to run the base SVP + sp in the Gaussian 03 to optimize > the geometry of a molecule? > > Thankful, > Leila > leilacardoso.quim:_:gmail.com > Universidade Federal do Oeste da Bahia-UFOB > Rua Professor Jos Seabra de Lemos, 316. > Recanto dos Pssaros. > CEP: 47808-021 > Barreiras BA > > Fone: 77 3614-3196> > > --001a11375f767892f00556fe228a Content-Type: text/html; charset="UTF-8" Content-Transfer-Encoding: quoted-printable
Hi,
You gen get basis set from EMSL basis set exchange= form.

best,
Dipankar

3D"" Virus-free. www.avast.com

-----------------------------------
Dipankar Roy =C2=A0 =C2=A0Ph= D


On Thu, Aug 17, 2017 at 3:02 PM, Leila Cardo= so Carvalho leilacardoso.quim!^!gmail.com = <owner-chemistry(!)ccl.net> wrote:

Sent to CCL by: "Leila Cardoso Carvalho" [leilacardoso.quim:gmail.com]=
Dear!

I'm working with Gaussian and I'm having difficulty with the input = of the
base SVP + sp because it gives an error in the command. Can you suggest the=
input command used to run the base SVP + sp in the Gaussian 03 to optimize<= br> the geometry of a molecule?

Thankful,
Leila
leilacardoso.quim:_:gmail.com
Universidade Federal do Oeste da Bahia-UFOB
Rua Professor Jos Seabra de Lemos, 316.
Recanto dos Pssaros.
CEP: 47808-021
Barreiras=C2=A0 BA

Fone: 77 3614-3196



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