Alex Granovsky
gran@classic.chem.msu.su
this is indeed impossible to do at present.
Properties are the part of gradient program which is not available yet.
All the best,
Alex
On Sun Sep 16 '12 7:15am, Solntsev Pasha wrote
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>Dear friends.
>What is a correct syntax to get MP2 natural orbitals for UHF/ROHF wave function? I tried
>$MP2 ncore=0 method=1 mp2prp=.t. direct=.t. $end
>for RUNTYP=energy. The system is dublet. But no luck. It seems properties can't be generated for non RHF wavefunction or i missed something.
>Thank you.
>Pavel.
>