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/cc-pVTZ

For ()
  Energy (hartrees)
frozen core -579.1427886
correlated core -579.2594954
difference -0.1167068
  Energy (hartrees)
frozen core -579.1752155
correlated core -579.2881250
difference -0.1129095
  Energy (hartrees)
frozen core -579.2079343
correlated core -579.3224521
difference -0.1145178
  Energy (hartrees)
frozen core -579.1898327
correlated core -579.3042464
difference -0.1144137