test_basis: STO-3G 6-311G** test_method: hf xalpha hfk hfs hfb hfg96 blyp b3lyp pbe pw91 b3pw91 bpw91 b3p86 bp86 spz81 kmlyp gradient: yes test_molecule: h2o h2o test_molecule_symmetry: c1 c2v restart: no checkpoint: no label: closed shell self consistent field tests (HF and DFT) h2o: O 0.000000000 0 0.369372944 H 0.783975899 0 -0.184686472 H -0.783975899 0 -0.184686472