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 MP2/TZVP

For ()
  Energy (hartrees)
frozen core -225.2260833
correlated core -225.2771980
difference -0.0511147
  Energy (hartrees)
frozen core -225.2260833
correlated core -225.2786635
difference -0.0525801
  Energy (hartrees)
frozen core -225.2276249
correlated core -225.2771980
difference -0.0495732
  Energy (hartrees)
frozen core -225.2276249
correlated core -225.2786635
difference -0.0510386
  Energy (hartrees)
frozen core -225.2260833
correlated core -225.2771981
difference -0.0511147