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 MP2/3-21G*

For ()
  Energy (hartrees)
frozen core -275.8313247
correlated core -275.8383206
difference -0.0069960
  Energy (hartrees)
frozen core -275.8313247
correlated core -275.8383206
difference -0.0069960
  Energy (hartrees)
frozen core -275.8313247
correlated core -275.8383206
difference -0.0069960
  Energy (hartrees)
frozen core -275.8313247
correlated core -275.8383206
difference -0.0069960
  Energy (hartrees)
frozen core -275.8310794
correlated core -275.8380785
difference -0.0069991
  Energy (hartrees)
frozen core -275.8310794
correlated core -275.8380785
difference -0.0069991
  Energy (hartrees)
frozen core -275.8310794
correlated core -275.8380785
difference -0.0069991
  Energy (hartrees)
frozen core -275.8310794
correlated core -275.8380785
difference -0.0069991