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UHF PM7 Copper(II) difluoride, dihydrate <Cu-O> <><> <Cu-F> GR=ICSD Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.94067000 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 2.23497777 +1 180.0238594 +1 180.0000000 +0 1 2 0 F 1.89998200 +1 75.9482357 +1 -50.5548274 +1 1 2 3 H 1.12068656 +1 113.9978640 +1 -99.9862050 +1 2 1 4 H 1.05694407 +1 118.6622215 +1 178.2079252 +1 2 1 5 H 0.96442305 +1 115.2641524 +1 -156.1354896 +1 3 1 4 H 0.96025790 +1 122.0925355 +1 134.1309763 +1 3 1 7 F 1.68239744 +1 88.3391284 +1 -164.4623733 +1 1 2 4