CCL:G: 4333111/433111/43 basis set calculation on Gaussian
- From: "Lorenzo Ferro"
<L.Ferro]~[sussex.ac.uk>
- Subject: CCL:G: 4333111/433111/43 basis set calculation on
Gaussian
- Date: Wed, 21 Apr 2010 09:03:30 -0400
Sent to CCL by: "Lorenzo Ferro" [L.Ferro ~~ sussex.ac.uk]
The question might look silly, I am trying to run a single point energy
calculation on Gaussian 03 using the [4333111/433111/43] basis set for the Sn
atom, how do I have to set up the input file to use this basis set? Moreover,
how do I add the polarization function for it?
I thought that putting b3lyp/gen in the rout card and specifying
Sn 0
4333111/433111/43
****
C H N O
6-31G*
****
at the end would be ok, but apparently it is not...
Thank you!!!
Lorenzo
----------------------------
Lorenzo Ferro
PhD Student
University of Sussex
BN1 9QJ Brighton UK
email: L.Ferro[a]sussex.ac.uk
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