CCL:G: error in using the B3LYP/aug-cc-TZVP



 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
 ramasami
 
----- Original Message -----
 From: "Lalitha selvam lalithasel#%#rediffmail.com"
 <owner-chemistry/./ccl.net>
 
 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]
 Hello all..
 
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.
 B3LYP/aug-cc-TZVP opt,freq
        '
 Last state="GCL"
 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..
 Regards
 Lalitha>