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 CCSD(T)/6-31G*

For ()
  Energy (hartrees)
frozen core -77.3456463
correlated core -77.3541558
difference -0.0085095
  Energy (hartrees)
frozen core -77.3448990
correlated core -77.3541558
difference -0.0092568
  Energy (hartrees)
frozen core -77.3456463
correlated core -76.3018314
difference 1.0438149
  Energy (hartrees)
frozen core -77.3448990
correlated core -76.3018314
difference 1.0430676
  Energy (hartrees)
frozen core -77.3456465
correlated core -77.3547096
difference -0.0090631
  Energy (hartrees)
frozen core -77.3456456
correlated core -77.3547096
difference -0.0090640
  Energy (hartrees)
frozen core -77.3456465
correlated core -77.3547087
difference -0.0090623
  Energy (hartrees)
frozen core -77.3456456
correlated core -77.3547087
difference -0.0090631