CCL:G: using uTZ-w as Gaussian 09 basis set to predict NMR property

[cina foroutan <canyslopus===yahoo.co.uk>]

Dear Immanuel,

The basis set that you would like to employ is not implemented in the Gaussian. You can see that your basis set is not recognized by the Gaussian. You should put the basis set in your input file manually. For more information about this basis set please see the following paper:

J. Chem. Theory Comput., 2, 1028 by Frisch et al.

Good luck,

 

Cina Foroutan-Nejad, Ph. D.

School of Chemistry, University College of Science,

University of Tehran, Tehran, Iran

http://independent.academia.edu/CinaForoutanNejad

---

From: immanuel Feng immanuelsvera]_[gmail.com <owner-chemistry__ccl.net>
To: "Foroutan-Nejad, Cina " <canyslopus__yahoo.co.uk>
Sent: Saturday, 17 March 2012, 21:49
Subject: CCL:G: using uTZ-w as Gaussian 09 basis set to predict NMR property

Sent to CCL by: "immanuel  Feng" [immanuelsvera*gmail.com]
Dear all,

I am trying to use the uTZ-w basis set for nmr calculation, which is
suggested on Gaussian official website:
http://www.gaussian.com/g_prod/g09b.htm, however, it generates errors below,
could anybody familiar with Gaussian tell me why? Thank you very much!

Best,

immanuel
Duke University

Email: immanuelsvera..gmail.com

Gaussian 09:  EM64L-G09RevA.02 11-Jun-2009
                13-Mar-2012
******************************************
%NProcShared=8
Will use up to    8 processors via shared memory.
%Mem=10GB
-----------------------------------------------------------------
#p nmr=(spinspin) b3lyp/uTZ-w scf=tight integral=(grid=ultrafine)
-----------------------------------------------------------------
QPErr --- A syntax error was detected in the input line.
#p nmr=(spinspin) b3lyp/uTZ-w scf=tight
                        '
Last state="GCL"
TCursr= 1046 LCursr=  24
Error termination via Lnk1e in /home/dbchem/mapete/chem/g09-A.02-ifort-
static/g09/l1.exe at Tue Mar 13 14:02:17 2012.



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