molpro: 2021.2.1 -> 2022.1.1

[markuskowa]

https://www.molpro.net/manual/doku.php?id=recent_changes#new_features_of_molpro20221

The following things have changed:

• The test now fails, since optg/freq optimize to the state averaged energies per default instead of the ground state
• a direct sequence of opt; freq; does not work any more (at least with numerical gradients). A mcscf block in between is now required.
• Analytic gradients ({rs2;noxec;}) are unstable, when run in a sandbox. It either fails in optg or freq, but runs fine, when run as user outside the sandbox.