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/cc-pVDZ

For ()
  Energy (hartrees)
frozen core -579.0531514
correlated core -579.0665068
difference -0.0133554
  Energy (hartrees)
frozen core -579.0850509
correlated core -579.0982805
difference -0.0132296
  Energy (hartrees)
frozen core -579.1119223
correlated core -579.1251610
difference -0.0132387
  Energy (hartrees)
frozen core -579.0975375
correlated core -579.1108203
difference -0.0132828