QUINTET CHARGE=1 SHIFT=5 OPEN(6,6) PM7 FeH(+) GR=DUMMY <Fe-H> Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 H 1.59700000 +1 0.0000000 +0 0.0000000 +0 1 0 0