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)/aug-cc-pVTZ

For ()
  Energy (hartrees)
frozen core -579.1651431
correlated core -579.2948096
difference -0.1296665
  Energy (hartrees)
frozen core -579.1985744
correlated core -579.3211088
difference -0.1225344
  Energy (hartrees)
frozen core -579.2269874
correlated core -579.3525034
difference -0.1255160
  Energy (hartrees)
frozen core -579.2109927
correlated core -579.3360736
difference -0.1250809