psi:( label = "cc-pVTZ SCF H2" jobtype = sp wfn = scf maxiter = 80 reference = uhf basis = "cc-pVTZ" multp = 3 charge = 2 freeze_core = no units = bohr geometry = ( ( H 0 0 -0.37 ) ( H 0 0 0.37 ) ) origin = (0.0 0.0 0.0) )