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 MP2/6-311G**

For ()
  Energy (hartrees)
frozen core -115.0371825
correlated core -115.0746592
difference -0.0374767
  Energy (hartrees)
frozen core -115.0371825
correlated core -115.0746596
difference -0.0374772
  Energy (hartrees)
frozen core -115.0371826
correlated core -115.0746592
difference -0.0374766
  Energy (hartrees)
frozen core -115.0371826
correlated core -115.0746596
difference -0.0374771
  Energy (hartrees)
frozen core -115.0380760
correlated core -115.0756072
difference -0.0375312