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PM7 Gold(III) difluoride thiol D=1.6 DR=PW91D H=7.6 HR=PW91D Au 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 2.34102466 +1 0.0000000 +0 0.0000000 +0 1 0 0 F 1.62037518 +1 89.3693700 +0 0.0000000 +0 1 2 0 F 1.58990335 +1 94.0147150 +0 -179.9901142 +1 1 2 3 H 1.35112648 +1 97.4847785 +1 -0.6247347 +1 2 1 3