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Re^5: Starting virtual orbitals for MCSCF

Alex Granovsky
gran@classic.chem.msu.su


Dear Pavel,


>Thank you for comments and the link. At least i know which orbitals
> i should use and how to get them. One more question. I played with
> benzene as a test and realized that ChemCraft can't read NBO
> orbitals for point group .gt. C1. Should i use just another viewer
> or i can re-read NBO orbitals with prtmo=.t. and runtyp=prop and
> visualize them.

I do not know much on the alternative viewers for NBO so I'd suggest
to try the prtmo trick.

All the best,
Alex


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