mpqc: (
	savestate = no
	do_gradient = yes
	mole<MBPT2_R12>: (
		molecule = $:molecule
		basis = $:basis
		aux_basis = $:abasis
		stdapprox = "A'"
		nfzc = 1
		memory = 16000000
		integrals<IntegralCints>:()
		reference<CLHF>: (
			molecule = $:molecule
			basis = $:basis
			maxiter = 1000
			memory = 16000000
			integrals<IntegralCints>:()
		)
	)
)
molecule<Molecule>: (
	unit = angstrom
	{ atoms geometry } = {
		O [ -0.505735	0	0 ]
		H [ 0.252867	0	0.504284 ]
		H [ 0.252867	0	-0.504284 ]
	}
)
basis<GaussianBasisSet>: (
	name = "3-21G"
	molecule = $:molecule
)
% auxiliary basis set specification
	abasis<GaussianBasisSet>: (
	name = "aug-cc-pVDZ"
	molecule = $:molecule
)