Different basis sets for the same atoms/molecules


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Forum Vet
The following input will put different basis sets for the two different lithium labeled atoms (li1 and li2)


start li1li2

geometry
 li1 0.  0. 0.
 li2 0.  0. 1.5
end

basis
 li1 library 6-31g*
 li2 library 6-31g**
end

task scf