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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 -280.1652226
correlated core -280.1764509
difference -0.0112282
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764509
difference -0.0112285
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764509
difference -0.0112285
  Energy (hartrees)
frozen core -280.1652223
correlated core -280.1764509
difference -0.0112285
  Energy (hartrees)
frozen core -280.1652226
correlated core -280.1764509
difference -0.0112283
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764509
difference -0.0112285
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764509
difference -0.0112285
  Energy (hartrees)
frozen core -280.1652223
correlated core -280.1764509
difference -0.0112286
  Energy (hartrees)
frozen core -280.1652226
correlated core -280.1764508
difference -0.0112282
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764508
difference -0.0112284
  Energy (hartrees)
frozen core -280.1652224
correlated core -280.1764508
difference -0.0112284
  Energy (hartrees)
frozen core -280.1652223
correlated core -280.1764508
difference -0.0112285