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

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  Energy (hartrees)
frozen core -1590.9310539
correlated core -1592.2592904
difference -1.3282365
  Energy (hartrees)
frozen core -1590.9808406
correlated core -1592.3103604
difference -1.3295198
  Energy (hartrees)
frozen core -1590.9808416
correlated core -1592.3103602
difference -1.3295186