test_symmetry: c1 c2v test_basis: STO-3G 6-311G** method: mp2 followed: fzv: 0 fixed: test_method: scf mp2 frequencies: yes label: water test series socc: auto state: 1 optimize: yes docc: auto fzc: 0 molecule: O 0.000000000 0 0.369372944 H 0.783975899 0 -0.184686472 H -0.783975899 0 -0.184686472 grid: default test_calc: freq optfreq basis: 6-311G** checkpoint: no restart: no symmetry: c1