12
hf xalpha hfk hfs hfb hfg96 blyp b3lyp pbe pw91 b3pw91 bpw91 b3p86 bp86 spz81
15
test_molecule_symmetry:
18
closed shell self consistent field tests (HF and DFT)
30
O 0.000000000 0 0.369372944
31
H 0.783975899 0 -0.184686472
32
H -0.783975899 0 -0.184686472
37
O 0.000000000 0 0.369372944
38
H 0.783975899 0 -0.184686472
39
H -0.783975899 0 -0.184686472