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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III.G.10.a.

Energy differences between frozen core and full core for CCSD/cc-pVDZ

For ()
  Energy (hartrees)
frozen core -579.0822526
correlated core -579.0944287
difference -0.0121761
  Energy (hartrees)
frozen core -579.1175058
correlated core -579.1294208
difference -0.0119150
  Energy (hartrees)
frozen core -579.1474238
correlated core -579.1595902
difference -0.0121664
  Energy (hartrees)
frozen core -579.1299940
correlated core -579.1421449
difference -0.0121509