The following input exemplifies the calculation of all orbital-relaxed first-order one-electron properties available in CC, for the hierarchy of wavefunction models SCF (indirectly obtained through CCS), MP2, CCSD and CCSD(T). For details, see Section 27.2.
**DALTON INPUT .RUN WAVE FUNCTIONS **INTEGRALS .DIPLEN .SECMOM .THETA .EFGCAR .DARWIN .MASSVELO **WAVE FUNCTIONS .CC *CC INPUT .CCS (gives SCF First order properties) .MP2 (default if CCSD is calculated) .CCSD .CC(T) *CCFOP .ALLONE **END OF DALTON INPUT