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 ()
  Energy (hartrees)
frozen core -277.2623702
correlated core -277.2670950
difference -0.0047249
  Energy (hartrees)
frozen core -277.2623702
correlated core -277.2670950
difference -0.0047249
  Energy (hartrees)
frozen core -277.2623702
correlated core -277.2670950
difference -0.0047249
  Energy (hartrees)
frozen core -277.2623702
correlated core -277.2670950
difference -0.0047249
  Energy (hartrees)
frozen core -277.2615230
correlated core -277.2662580
difference -0.0047350
  Energy (hartrees)
frozen core -277.2615230
correlated core -277.2662580
difference -0.0047350
  Energy (hartrees)
frozen core -277.2615230
correlated core -277.2662580
difference -0.0047350
  Energy (hartrees)
frozen core -277.2615230
correlated core -277.2662580
difference -0.0047350