SHIFT=5 QUINTET OPEN(6,6) PM7 FeO GR=DUMMY <Fe-O> Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.61600000 +1 0.0000000 +0 0.0000000 +0 1 0 0