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/aug-cc-pVQZ

For ()
  Energy (hartrees)
frozen core -152.7161364
correlated core -152.7780313
difference -0.0618949
  Energy (hartrees)
frozen core -152.7151738
correlated core -152.7780313
difference -0.0628576
  Energy (hartrees)
frozen core -152.7161364
correlated core -152.7780407
difference -0.0619043
  Energy (hartrees)
frozen core -152.7151738
correlated core -152.7780407
difference -0.0628669