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I have succesfully calculated RESP charges in Multiwfn.
The system is an uncharged molecule with an unpaired electron, so multiplicity =2
I used as input a molden file, generated in ORCA.
I can see from the Multiwfn messages that multiplicity 2 was used.
Just to confirm. Is it not necessary to tell Multiwfn what the charge and multiplicity for the molecule should be?
I was not able to find information on spin multiplicity within RESP in the manual.
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