test.input.dat

# PYTHONPATH must include directory above plugin directory.
#     Define either externally or here, then import plugin.
sys.path.insert(0, './..')
import scf_orbital_overlap

molecule {
O
H 1 R
H 1 R 2 A

R = .9
A = 104.5
#symmetry c1
}

set {
  basis sto-3g
  scf_type df
  e_convergence 8
  maxiter 100
}

set scf_orbital_overlap {
  print 1
  basis1 cc-pVDZ
  basis2 cc-pVQZ
}

energy('scf_orbital_overlap')