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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 -40.3176123
correlated core -40.3341791
difference -0.0165667
  Energy (hartrees)
frozen core -40.3176140
correlated core -40.3341805
difference -0.0165665