I am trying to define a net charge of +1 on a molecule, but MOPAC does not seem to be recognizing the charge Ihave assigned in the Replacement Text Box.

October 08, 2021 22:59

Date Posted: 2004-02-20
Product: Chem3D

Problem:

I am trying to define a net charge of +1 on a molecule, but MOPAC does not seem to be recognizing the charge I have assigned in the Replacement Text Box.

Solution:

You must use the "Charge=" keyword. In this case you would use: charge=+1

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