Doublet (Mult 2) case of MP2


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SCF input section
You need to add the doublet keyword in the SCF input section

http://nwchemgit.github.io/index.php/Release66:Hartree-Fock_Theory_for_Molecules#Wavefunctio...

ECHO

START ch4a_mp2

TITLE "C4A-MP2"

CHARGE -1

geometry
...
end

BASIS
  * library 6-31G*
END


SCF
 doublet
end

task mp2 energy