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)/TZVP

For ()
  Energy (hartrees)
frozen core -152.5845861
correlated core -152.6198134
difference -0.0352273
  Energy (hartrees)
frozen core -152.5845858
correlated core -152.6198134
difference -0.0352276
  Energy (hartrees)
frozen core -152.5845861
correlated core -152.6198134
difference -0.0352274
  Energy (hartrees)
frozen core -152.5845858
correlated core -152.6198134
difference -0.0352276