National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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IIExperimental data
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XIXIndex of properties
XXH-bond dimers
XXIOddities

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III.G.10.a.

Energy differences between frozen core and full core for B2PLYP/6-31G*

For ()
  Energy (hartrees)
frozen core -579.7314078
correlated core -579.7381407
difference -0.0067329
  Energy (hartrees)
frozen core -579.7662717
correlated core -579.7730026
difference -0.0067309
  Energy (hartrees)
frozen core -579.7888515
correlated core -579.7956567
difference -0.0068052
  Energy (hartrees)
frozen core -579.7751796
correlated core -579.7819834
difference -0.0068038