Sir, I have to calculate charge decomposition of C6H5Cl using
Multiwfn. For the total molecule charge is 0 with multiplicity 1. Now
what will be the charge and multiplicity for "C6H5" fragment and
"Cl" fragment.
Waiting for
response.
Partha.
--
Dr. Partha Sarathi
Sengupta
Associate Professor
Vivekananda Mahavidyalaya,
Burdwan