CCL: Charge deomposition

[Nike Dattani <ndattani _ gmail.com>]

For charges of fragments, there's several ways described here: https://materials.stackexchange.com/a/1444/5

And lots of help for Multiwfn here: https://materials.stackexchange.com/search?q=multiwfn

On Mon, Jul 20, 2020 at 2:38 AM Partha Sengupta anapspsmo:_:gmail.com <owner-chemistry~~ccl.net> wrote:

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.