I calculated Mulliken population analysis of benzene and visualized 'log.out" file in Chemcraft. From line number 1173 from "log.out" file we can see

Total Density - Mulliken Population Analysis and Total Density - Lowdin Population Analysis. Among these two which one would be better?

---------------------------------------------

Total Density - Mulliken Population Analysis

---------------------------------------------

Atom Charge Shell Charges

----------- ------ -------------------------------------------------------

1 C 6 6.13 2.00 0.71 2.09 0.50 0.84

Here the charge of Carbon is 6.13 . How Can we interpret this result?

More Roshan Pudasaini's questions See All
Similar questions and discussions