National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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III.G.10.a.

Energy differences between frozen core and full core for CCSD(T)/6-311+G(3df,2p)

For ()
  Energy (hartrees)
frozen core -579.1500152
correlated core -579.4798387
difference -0.3298235
  Energy (hartrees)
frozen core -579.1834578
correlated core -579.5135934
difference -0.3301356
  Energy (hartrees)
frozen core -579.2104296
correlated core -579.5419845
difference -0.3315549
  Energy (hartrees)
frozen core -579.1951471
correlated core -579.5262758
difference -0.3311287