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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 MP2/6-31G*

For ()
  Energy (hartrees)
frozen core -76.1968478
correlated core -76.1992442
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968478
correlated core -76.1992441
difference -0.0023963
  Energy (hartrees)
frozen core -76.1968478
correlated core -76.1992440
difference -0.0023962
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992442
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992441
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992440
difference -0.0023963
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992442
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992441
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992440
difference -0.0023963
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992442
difference -0.0023965
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992441
difference -0.0023964
  Energy (hartrees)
frozen core -76.1968477
correlated core -76.1992440
difference -0.0023964