12
uhf uxalpha uhfk uhfs uhfb uhfg96 ublyp ub3lyp upbe upw91 ub3pw91 ubpw91 ub3p86 ubp86 uspz81
13
test_molecule_multiplicity:
17
test_molecule_symmetry:
20
unrestricted open shell self consistent field tests (HF and DFT)
39
O 0.000000000 0 0.369372944
40
H 0.783975899 0 -0.184686472
41
H -0.783975899 0 -0.184686472