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/aug-cc-pVTZ

For ()
  Energy (hartrees)
frozen core -243.3214986
correlated core -243.3919791
difference -0.0704805
  Energy (hartrees)
frozen core -243.3214986
correlated core -243.4283972
difference -0.1068986
  Energy (hartrees)
frozen core -243.3588117
correlated core -243.4307960
difference -0.0719843
  Energy (hartrees)
frozen core -243.3588117
correlated core -243.4307960
difference -0.0719843