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Re^7: Starting virtual orbitals for MCSCF

Alex Granovsky
gran@classic.chem.msu.su


Dear Pavel,

>I am looking a way to generate symmetry adapted NBO type orbitals as starting orbitals for MCSCF. I found AONBO keyword works fine and i can see NBO orbitals in a PUNCH file. Is there any way i can punch NLMO orbitals by using AONLMO or strictly speaking all orbitals from

> http://www.chem.wisc.edu/~nbo5/transmatrix.htm.

> They are in the OUTPUT file but not in PUNCH file. If it is a limitation, could please add this request  to your list "TODO".

It is impossible to punch them at present but I can add this to our to do list.

Kind regards,
Alex


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