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Energy differences between frozen core and full core for MP4/daug-cc-pVTZ

19 06 19 13 52
For ()
  Energy (hartrees)
frozen core -721.5473649
correlated core -721.6212083
difference -0.0738435
  Energy (hartrees)
frozen core -721.5484217
correlated core -721.6212439
difference -0.0728221