CCL:G: error in using the B3LYP/aug-cc-TZVP
- From: "Dr. Ponnadurai Ramasami"
- Subject: CCL:G: error in using the B3LYP/aug-cc-TZVP
- Date: Wed, 5 Sep 2007 05:54:41 +0400
Sent to CCL by: "Dr. Ponnadurai Ramasami" [ramchemi..intnet.mu]
it should be
B3LYP/aug-cc-TZVP opt freq
no comma between opt and freq
you can also add options to these keywords like opt=tight freq=raman
----- Original Message -----
From: "Lalitha selvam lalithasel#%#rediffmail.com"
To: "Ramasami, Ponnadurai " <ramchemi/./intnet.mu>
Sent: Wednesday, September 05, 2007 4:12 AM
Subject: CCL:G: error in using the B3LYP/aug-cc-TZVP
Sent to CCL by: "Lalitha selvam" [lalithasel(a)rediffmail.com]
I want to use B3LYP/aug-cc-TZVP with gaussian 03 for the optimised
structure with B3LYP/6-311G**.
but when I am running the input file, its giving me error like this:
"QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
TCursr= 909 LCursr= 7
Error termination via Lnk1e in /usr/people/g03/l1.exe
How to rectify and wats the problem in using this basis set..