Here I put nontrivial MOLPRO scripts, which I found useful for me and other:

Here I put nontrivial MOLPRO scripts, which I found useful for me and other:

Use the relaxed CCSD one electron density matrix to calculate
the CCSD electrostatic energy (other densities, e.g. MP3 density, can be used as well)

Save correlated densities in the MOLDEN format

Electron affinities through the electron-excitation program on example of EA-EOM-CCSD. "Excitation energies" with "excitation" from a special very diffuse orbital are minus vertical EAs.

If the orbital energy of LUMO is greater than zero (the most common case)

If the orbital energy of LUMO is smaller than zero

Electrostatic, induction, 1-order exchange (S2) and exchange-induction components of SAPT in the
MCBS (monomer-centered basis set) basis

http://tiger.chem.uw.edu.pl/staff/tania/scripts/index.html