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 MP2/6-31G

For PN+ (Cyanogen fluoride)
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5514535
difference -0.0037521
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5513424
difference -0.0036410
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5513424
difference -0.0036410
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5514535
difference -0.0038780
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5513424
difference -0.0037669
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5513424
difference -0.0037669
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5514535
difference -0.0038780
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5513424
difference -0.0037669
  Energy (hartrees)
frozen core -113.5475755
correlated core -113.5513424
difference -0.0037669
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5514535
difference -0.0037521
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5514535
difference -0.0037521
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5514535
difference -0.0037521
  Energy (hartrees)
frozen core -113.5477014
correlated core -113.5514535
difference -0.0037521