%nprocshared=8 %mem=19800MB %NoSave %Chk=/var/tmp/pbs.180120.cx1/chk.chk %rwf=/var/tmp/pbs.180120.cx1/rwf # wB97XD/6-311G(d,p) pop(nboread) freq Title Card Required 2 1 Be -0.00 0.00 0.00000000 Be 0.00 0.00 1.78513 $nbo bndidx $end