Single Point: MP2 / CCSD(T)

MP2 Energy — Water, cc-pVDZ

task: MP2 RHF CC-PVDZ

GEOMETRY
  O   0.000000   0.000000   0.117369
  H   0.756950   0.000000  -0.469476
  H  -0.756950   0.000000  -0.469476
END

MP2
  FreezeCore false
END

CCSD(T) Energy — N₂

task: CCSD(T) RHF CC-PVDZ

GEOMETRY
  N  0.0  0.0  0.0
  N  0.0  0.0  2.074
END

CC
  Triples   st
  FreezeCore false
END

Notes

• The task: line for MP2 and CCSD(T) includes the reference method (RHF/UHF/ROHF) and the basis set.
• FreezeCore false correlates all electrons. Use FreezeCore true for frozen-core (valence-only) correlation.
• CCSD(T) uses Triples st by default. Use Triples none for CCSD only.
• MP2 and CC always compute in-core TwoElectronIntegrals for the AO→MO transform, even when Direct true is enabled for SCF.