The effective first order density matrix is computed an stored in record record on file ifil. This currently works for closed-shell MP2, QCISD, and QCISD(T). See also NATORB. Note that this is much more expensive than a simple energy calculation, since the response equations have to be solved. Note: CCSD first order properties without orbital relaxation contribution can be computed using
ccsd expec,dm
The orbital relaxation can be included using
ccsd core,0 expec,relax,dm
Currently, this works only without core, i.e., CORE,0 is required.