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)/cc-pCVTZ

For ()
  Energy (hartrees)
frozen core -113.1611528
correlated core -113.2641508
difference -0.1029980
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641508
difference -0.1029983
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641508
difference -0.1029983
  Energy (hartrees)
frozen core -113.1611528
correlated core -113.2641505
difference -0.1029977
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641505
difference -0.1029980
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641505
difference -0.1029980
  Energy (hartrees)
frozen core -113.1611528
correlated core -113.2641505
difference -0.1029977
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641505
difference -0.1029980
  Energy (hartrees)
frozen core -113.1611525
correlated core -113.2641505
difference -0.1029980