Alex Granovsky
gran@classic.chem.msu.su
>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