Anyone please help to know about the units of mulliken charges and natural charges of atoms in a molecule generated by Gaussian09 software.
Hi Renjith
As far as I know G09 gives all the units in "au" only except the distance b/w atoms which is in angstroms.
Dr. Karafiloglou is correct, but the other fellows are not wrong at all. Actually, the number of electrons is indeed dimensionless but since each of them contribute with a unitary atomic unit of charge, the conversion between the number of electrons and the electronic charge carried by them is direct, i.e. just multiply the number of electrons by the charge of on electron, that in atomic units is 1e.
The explanation of Dr. Richter is right. One keeps in mind that when we speak about the populations of electrons, we have to consider a multiple of the unitary atomic unit of charge. Sometimes it is also designed as |e| .
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