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 (Hexafluorophosphate neutral)
  Energy (hartrees)
frozen core -139.4581739
correlated core -139.4920860
difference -0.0339121
  Energy (hartrees)
frozen core -139.4581738
correlated core -139.4920860
difference -0.0339123
  Energy (hartrees)
frozen core -139.4581738
correlated core -139.4920860
difference -0.0339122
  Energy (hartrees)
frozen core -139.4581739
correlated core -139.4920861
difference -0.0339123
  Energy (hartrees)
frozen core -139.4581738
correlated core -139.4920861
difference -0.0339124
  Energy (hartrees)
frozen core -139.4581738
correlated core -139.4920861
difference -0.0339123