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
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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 MP4/6-31G*

For ()
  Energy (hartrees)
frozen core -225.1136235
correlated core -225.1202579
difference -0.0066344
  Energy (hartrees)
frozen core -225.1124212
correlated core -225.1202579
difference -0.0078367
  Energy (hartrees)
frozen core -225.1136235
correlated core -225.1190374
difference -0.0054139
  Energy (hartrees)
frozen core -225.1124212
correlated core -225.1190374
difference -0.0066162
  Energy (hartrees)
frozen core -225.1136241
correlated core -225.1202584
difference -0.0066343