--@
extension = "run"
--@
AMS_JOBNAME={{ Molecule.filename }} $AMSBIN/ams <<eor

Task SinglePoint

Engine ADF
	title {{ Molecule.filename }}

	BASIS
		TYPE {{ basis_set }}
		CreateOutput yes
	end

	Symmetry NoSym
		Dependency
	end

	XC
		{{ method_class }} {{ functional }}
		Dispersion Grimme3 BJDAMP
	end

	Beckegrid
		Quality verygood
	end

EndEngine

System
	atoms
{{ print_molecule(molecule=Molecule) }}
	end
		Charge {{ charge }}
	end

eor
