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PM7 Bismuth trihydride <Bi-H> <><H-Bi-H> GR=PW91D Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 H 1.77885000 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.64997125 +1 86.2288550 +1 0.0000000 +0 1 2 0 H 1.63849116 +1 93.3028099 +1 94.1941067 +1 1 2 3