[molpro-user] Counter Poise Corrected Dipole Moment

[Joseph Lane]

Hi there,

Does anyone know if it is possible to calculate counterpoise corrected  
dipole moments at the CCSD(T) level with Molpro?

I have been experiencing convergence problems at the SCF level when  
applying a field greater than 0.0005 to my monomer with ghost orbitals  
separated to infinity. Using such a small field is creating numerical  
errors in my dipoles.

Any help would be greatly appreciated,

Kind regards


-- 
Joseph Lane
Department of Chemistry
University of Otago
P.O. Box 56
Dunedin, New Zealand
ph +64 3 479 5214
email : jlane at alkali.otago.ac.nz