test_symmetry:
c1 c2v
test_basis:
STO-3G 6-311G**
method:
scf
followed:

fzv:

fixed:

test_method:
scf mp2
frequencies:
yes
label:
water test series
socc:
auto
state:
1
optimize:
yes
docc:
auto
fzc:

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
