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UHF SHIFT=80 RELSCF=100 PULAY PM7 Dimethyl rhenium bromide <Re-C> <><> <Re-Br> <C-Re-Br> GR=PW91D Re 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 2.05305500 +1 0.0000000 +0 0.0000000 +0 1 0 0 C 2.07607934 +1 115.5392528 +1 0.0000000 +0 1 2 0 Br 2.40480800 +1 132.0730500 +1 -179.7284036 +1 1 2 3 H 1.09094668 +1 111.3648209 +1 -179.8599157 +1 2 1 3 H 1.09577199 +1 106.2013230 +1 120.7755503 +1 2 1 5 H 1.09538362 +1 106.4107748 +1 118.2868892 +1 2 1 6 H 1.09425550 +1 105.8448226 +1 -175.9043075 +1 3 1 2 H 1.09183593 +1 108.6167214 +1 119.4132789 +1 3 1 8 H 1.09212074 +1 108.8111694 +1 121.2966598 +1 3 1 9