[molpro-user] multiple core specifications in one input

[Brian]

If you try something along the lines of

 

hf

ccsd(t)

core,1

ccsd(t)

core,0

ccsd(t)

core,1

 

for water, you will find that the first and last ccsd(t) values are
different.  In fact, the second enery is lower than the correct energy.  Is
this a known bug?

 

-Brian

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