CCL: Using multiple basis sets in G09
- From: "Ol Ga" <eurisco1]![pochta.ru>
- Subject: CCL: Using multiple basis sets in G09
- Date: Thu, 24 Jun 2010 16:55:20 -0400
Sent to CCL by: "Ol Ga" [eurisco1[A]pochta.ru]
Dear Bradley Kenneth Welch,
An example special for your case:
# b3lyp/Gen pseudo=read {additional keywords}
comment
0 1 <---- just an example
{coordinates}
{blank line}
C, Cl, O, N 0
6-311g*
****
Pt 0
Lanl2DZ
****
{blank line}
Pt 0
Lanl2DZ
Sincerely,
Ol Ga
--------------------------------------------------
> From: "Bradley Kenneth Welch bwelch5(!)slu.edu"
<owner-chemistry],[ccl.net>
Sent: Thursday, June 24, 2010 9:28 PM
To: "Ga, Ol " <eurisco1],[pochta.ru>
Subject: CCL: Using multiple basis sets in G09
>
>
> Sent to CCL by: "Bradley Kenneth Welch" [bwelch5-,-slu.edu]
> Good afternoon everyone,
>
>
> I am starting a computational project and I need some technical
assistance. I
> need to set up an input file for an optimisation of a platinum complex. I
need
> to use a basis set to account for the platinum (LanL2DZ specifically), and
> another to account for N,Cl,O, and C (6-311G). In my G09 input file, how
would
> I set it up to use multiple basis sets?
>
>
> Bradley Welch
> Undergraduate
> Department of Chemistry
> Saint Louis University
> Monsanto Hall, RM 218
> 3501 Laclede Ave.
> St. Louis, Mo 63103-2010
> email: bwelch5#slu.edu
>
>
>