National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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III.G.10.a.

Energy differences between frozen core and full core for CCSD/6-311+G(3df,2p)

For ()
  Energy (hartrees)
frozen core -579.1323952
correlated core -579.4581532
difference -0.3257580
  Energy (hartrees)
frozen core -579.1646806
correlated core -579.4905790
difference -0.3258984
  Energy (hartrees)
frozen core -579.1964321
correlated core -579.5241724
difference -0.3277403
  Energy (hartrees)
frozen core -579.1788433
correlated core -579.5060006
difference -0.3271573