source: ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.qci

test_basis:
6-311++G**
method:
zapt2v2lb
test_lindep_tol:
0.0001 0.0500
followed:

lindep_tol:
0.0500
fzv:
0
fixed:

test_method:
scf hfs mp2 mp2v1 mp2v2 mp2v2lb zapt2v1 zapt2v2 zapt2v2lb
test_molecule_multiplicity:
1   3
frequencies:
no
test_molecule_symmetry:
c2v c2v
label:
orthogonalization set series
gradient:
no
test_gradient:
yes yes
socc:
auto
state:
3
optimize:
no
docc:
auto
ch2:
  C  0.00  0.00 -0.10
  H  0.00  0.86  0.60
  H  0.00 -0.86  0.60

fzc:
0
h2o:
  O  0.00 0.00  0.37
  H  0.78 0.00 -0.18
  H -0.78 0.00 -0.18

molecule:
  C  0.00  0.00 -0.10
  H  0.00  0.86  0.60
  H  0.00 -0.86  0.60

test_molecule:
h2o ch2
grid:
default
test_orthog_method:
gramschmidt canonical symmetric
orthog_method:
canonical
basis:
6-311++G**
checkpoint:
no
restart:
no
symmetry:
c2v