[input] system= 8 0.000000000 0.000000000 -0.041061554 1 -0.533194329 0.533194329 -0.614469223 1 0.533194329 -0.533194329 -0.614469223 charge=0 method=hf basis=6-31g runtype=energy functional=pbe d4=false [guess] type=huckel save_mol=true [scf] type=rhf multiplicity=1 converger_type=soscf maxit=60 conv=1.0e-6 [dftgrid] rad_npts=96 ang_npts=302 pruned=