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(T)/cc-pCVDZ

For ()
  Energy (hartrees)
frozen core -291.3941898
correlated core -291.5999573
difference -0.2057675
  Energy (hartrees)
frozen core -291.3941896
correlated core -291.5999573
difference -0.2057677
  Energy (hartrees)
frozen core -291.3941898
correlated core -291.5999570
difference -0.2057672
  Energy (hartrees)
frozen core -291.3941896
correlated core -291.5999570
difference -0.2057674