test_basis: 6-31G*
test_method: scf
test_calc: opt
test_molecule:          h2  beh2 b2h6 nh3 c2h2 h2o hf 
test_molecule_symmetry: d2h d2h  d2h  cs  d2h  c2v c2v

restart: no
checkpoint: no

label: optimization test series

h2:
  H 0 0  0.37
  H 0 0 -0.37

beh2:
  Be 0.00 0.00  0.00
  H  0.00 0.00  1.30
  H  0.00 0.00 -1.30

b2h6:
  H  1.00  0.00  1.46
  H -1.00  0.00  1.46
  B  0.00  0.00  0.90
  H  0.00  0.94  0.00
  H  0.00 -0.94  0.00
  B  0.00  0.00 -0.90
  H  1.00  0.00 -1.46
  H -1.00  0.00 -1.46

nh3:
  N  0.000000000  0.252365857  0.000000000
  H -0.486150513 -0.084121957  0.824716866
  H -0.486150513 -0.084121957 -0.824716866
  H  0.952301025 -0.084121957  0.000000000

c2h2:
  H  0.00 0.00  1.65
  C  0.00 0.00  0.58
  C  0.00 0.00 -0.58
  H  0.00 0.00 -1.65

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

hf:
  H  0 0  0.50
  F  0 0 -0.50