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PM7 Hg(CN)2 <Hg-C> GR=PW91D Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.05941600 +1 0.0000000 +0 0.0000000 +0 1 0 0 N 1.15342225 +1 179.9139618 +1 0.0000000 +0 2 1 0 C 1.93254299 +1 179.9601355 +1 -124.5392411 +1 1 2 3 N 1.15561122 +1 179.8722416 +1 -68.9599684 +1 4 1 2