#! Internal match to psi4, test to match to literature values in litref.in/litref.out

molecule water {
0 1
O  -1.551007  -0.114520   0.000000
H  -1.934259   0.762503   0.000000
H  -0.599677   0.040712   0.000000
--
0 1
O   1.350625   0.111469   0.000000
H   1.680398  -0.373741  -0.758561
H   1.680398  -0.373741   0.758561
}
set basis aug-cc-pvdz

set reference rks
set scf_type out_of_core
set freeze_core true
set dft_radial_points 99
set dft_spherical_points 302

e_dhdft = energy('pbe0-2')
print_variables()

clean()

