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 CCSD(T)/aug-cc-pVQZ

19 06 19 13 52
For PO (Phosphorus monoxide)
  Energy (hartrees)
frozen core -2672.4913152
correlated core -2672.5993672
difference -0.1080520