Home   Manual

Creation of molecules



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?



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.