Dear Immanuel,=

The basis set that you would l= ike to employ is not implemented in the Gaussian. You can see = that your basis set is not recognized by the Gaussian. You sho= uld put the basis set in your input file manually. For more information abo= ut 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 C= hemistry, University College of Science,

University = of Tehran, Tehran, Iran

http://independent= .academia.edu/CinaForoutanNejad

From: i= mmanuel 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 Gau= ssian 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 Universit= y

Email: immanuelsvera..gmail.com

Gaussian 09: EM64L-G0= 9RevA.02 11-Jun-2009
&n= bsp; 13-Mar-2012
******************************************
%NProcS= hared=3D8
Will use up to 8 processors via shared memory. %Mem=3D10GB
--------------------------------------------------------= ---------
#p nmr=3D(spinspin) b3lyp/uTZ-w scf=3Dtight integral=3D(grid= =3Dultrafine)
---------------------------------------------------------= --------
QPErr --- A syntax error was detected in the input line.
#= p nmr=3D(spinspin) b3lyp/uTZ-w scf=3Dtight
&n= bsp; '
Last state=3D"= GCL"
TCursr=3D 1046 LCursr=3D 24
Error termination via Lnk1e= in /home/dbchem/mapete/chem/g09-A.02-ifort-
static/g09/l1.exe at Tue Ma= r 13 14:02:17 2012.

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