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Creation of molecules


#1

Hi,

I am using AVOGADRO to create molecules. I would like to create an hydroxyl radical molecule (neutral form of OH-) and an electron. Do you know how to do it?

Quentin


#2

Charges and/or spin would be specified in any computational software you use (e.g., Gaussian, charge 0, spin doublet). So you’d create an O-H and then set the bond length as you wish.