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 MP2/6-311G*

For ()
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978838
difference -0.7566345
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978838
difference -0.7566345
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978838
difference -0.7566344
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978838
difference -0.7566344
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978838
difference -0.7566345
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978838
difference -0.7566345
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978838
difference -0.7566344
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978838
difference -0.7566344
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978839
difference -0.7566346
  Energy (hartrees)
frozen core -4799.8412493
correlated core -4800.5978839
difference -0.7566346
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978839
difference -0.7566345
  Energy (hartrees)
frozen core -4799.8412494
correlated core -4800.5978839
difference -0.7566345