[molpro-user] Force No Core Orbitals with RS2

Brian H Solis bhs136 at psu.edu
Thu Mar 10 18:03:56 GMT 2011

Hello MolPro experts!

I am attempting to do CASPT2 on a relatively large molecule with RS2.  However,
due to the number of active orbitals, I must use RS2C instead of RS2.  As I
understand it, RS2C doesn't have access to electron densities and gradients. 
What I'm really after are dipole moments after the perturbation.  Is there a
way I can use RS2 with zero core orbitals, so the "active" orbitals remain
below 32?  I am able to do CASSCF with zero core orbitals but once RS2 starts
it automatically puts them back.

Brian Solis
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