Br Basis sets

[Patrick Jemmer]

I have been trying to do calculations on

(HBr) ^ [2+] molecular dication.

I'd like to use a the best correlation-adapted basis (*V5Z*) available.

I have tried 

basis=AV5Z

basis=V5Z

basis=V5Z-DK

(and the other aliases)

but my installation of MOLPRO doesn't seem to be locate these.

I can use the VQZ, AVQZ, however.

Any help appreciated.

Cheers, Patrick.
---------------------------------------------

Dr Patrick Jemmer
Senior Lecturer in Mathematics
Division of Mathematics & Statistics
School of Informatics
Northumbria University
NE1 8ST UK
telephone: +44(0) 191-227-4714
facsimile: +44(0) 191-227-3362

Patrick.Jemmer at northumbria.ac.uk