return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy differences between frozen core and full core for MP2/6-311+G(3df,2p)

19 06 19 13 52
For ONNO (1-chloro-1-fluoroethylene)
  Energy (hartrees)
frozen core -229.5252527
correlated core -229.6363530
difference -0.1111003