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UHF SHIFT=80 PULAY PM7 Nickel(IV) oxide dibromide <Ni=O><Ni-Br> <O=Ni-Br> GR=PW91D Ni 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.61976300 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 2.21573300 +1 115.1267680 +1 0.0000000 +0 1 2 0 Br 2.22225127 +1 121.8956314 +1 -179.5108573 +1 1 2 3