Bond Length differences between CCSD(T)=FULL (all electrons correlated) and CCSD(T) (frozen core)
For CH atoms 1 and 2
For CH (Methylidyne)
Bond length differences (full - frozen) in Å
Methods
with standard
basis sets
aug-cc-pVTZ
Coupled Cluster
CCSD(T)=FULL
-0.0123
