[molpro-user] Correct Syntax for CCSD Frozen core Orbitals for Ag2

[Brian Napolion]

Hello,
I am new to MOLPRO. I see this program drops or freezes the specified core orbitals differently than other programs. What is the correct key word to use if I want to 
 use a ECP-28 and drop eight of the 3d10 electrons and all of the 4p6 electrons. That would give me the a total of 8e's divided by 2, which means I am dropping 4 molecular orbitals for each silver atom( leaving 5s1 and 4d10 to participate in correlation). I would like to do this for different ag clusters such as ag4.


Would I use the "core" or "frozen" key words. For instance ag3 would it be
FROZEN,12 ?

The default I believe for frozen core orbitals with a ECP-28 in molpro is to drop everything but the 5s1 electron, and the 3d10 -  4p6 - 4d10  are not included

Below is my input file for ag4, what else would I need to correctly set this up.

memory,50,m
include procedures
basis=cc-pVDZ-PP
geometry={angstroms;
                   X;
                   X,1,XX;
                   AG,2,RS,1,90;
                   AG,2,RS,1,90,3,120;
                   AG,2,RS,1,90,3,-120;
                   AG,2,RL,1,90,3,180;
                   }
RS=1.61853532
RL=3.11497958
XX=1.0
hf
CCSD(T)
DUMMY,1,2
{optg;
ACTIVE,RS,RL;}



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