source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc2v.qci

test_basis:
STO-3G 6-311G**
method:
pw91
followed:

fzv:

fixed:

test_method:
hf xalpha hfk hfs hfb hfg96 blyp b3lyp pbe pw91 b3pw91 bpw91 b3p86 bp86 spz81
frequencies:
no
test_molecule_symmetry:
c1 c2v
label:
closed shell self consistent field tests (HF and DFT)
gradient:
yes
socc:
auto
state:
1
optimize:
no
docc:
auto
h2o:
  O  0.000000000 0  0.369372944
  H  0.783975899 0 -0.184686472
  H -0.783975899 0 -0.184686472

fzc:

molecule:
  O  0.000000000 0  0.369372944
  H  0.783975899 0 -0.184686472
  H -0.783975899 0 -0.184686472

test_molecule:
h2o h2o
grid:
default
basis:
6-311G**
checkpoint:
no
restart:
no
symmetry:
c2v