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

19 06 19 13 52
For ()
  Energy (hartrees)
frozen core -38.6969781
correlated core -38.7104813
difference -0.0135032
  Energy (hartrees)
frozen core -38.6919176
correlated core -38.7056698
difference -0.0137522