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

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For ()
  Energy (hartrees)
frozen core -1590.9157167
correlated core -1591.0568301
difference -0.1411134
  Energy (hartrees)
frozen core -1590.9652005
correlated core -1591.1053301
difference -0.1401296
  Energy (hartrees)
frozen core -1590.9652005
correlated core -1591.1053302
difference -0.1401297