CCL:G: using uTZ-w as Gaussian 09 basis set to predict NMR property
- From: <eurisco1===pochta.ru>
- Subject: CCL:G: using uTZ-w as Gaussian 09 basis set to predict NMR
property
- Date: Sat, 17 Mar 2012 23:24:28 +0400
Sent to CCL by: [eurisco1---pochta.ru]
Dear Immanuel Feng,
The uTZ-w basis set is not a built-in basis set. In this case you
should
use Gen keyword. Corresponding web link with instruction is
http://www.gaussian.com/g_tech/g_ur/k_gen.htm.
Sincerely,
Ol Ga
-----Исходное
сообщение-----
From: immanuel Feng immanuelsvera]_[gmail.com
Sent: Saturday, March 17, 2012 9:49 PM
To: Ga, Ol
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.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt