the charge could set to be minus value?


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Forum Vet
10:24:43 AM PST - Mon, Nov 26th 2012
charge 0 means neutral molecule

charge -1 means adding an extra electron

charge +1 means removing an electron from the system

See: http://nwchemgit.github.io/index.php/Release61:Charge

Bert



Quote:Cwlzju Nov 22nd 3:42 am
in INPUT file, the charge of a systme could be set to +2 as
charge 2

It chould be set to some minus value as

charge -2

??

Thanks?