message: scf->scf_wfn in the scf call
diff: @@ -37,7 +37,7 @@ class PySCFObservable(xacc.Observable):
  mol.basis = inputParams['basis']
  scf_wfn = scf.RHF(mol) # needs to be changed for open-shells
  scf_wfn.conv_tol = 1e-8
  - scf.kernel() # runs RHF calculations
  + scf_wfn.kernel() # runs RHF calculations
  scf_e = scf_wfn.e_tot
  E_nucl = mol.energy_nuc()
  