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PM7 Cesium bromide, dimer <Cs-Br> <><Br-Cs-Br> GR=PW91D Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cs 3.23791400 +1 0.0000000 +0 0.0000000 +0 1 0 0 Br 3.33520244 +1 92.9885350 +1 0.0000000 +0 2 1 0 Cs 3.34578647 +1 88.6060401 +1 -0.0000044 +1 1 2 3