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UHF PM7 Cu(SH)2 <Cu-S> GR=PW91D Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 S 2.13537700 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.33780395 +1 106.1448659 +1 0.0000000 +0 2 1 0 S 2.02088204 +1 154.2370183 +1 172.3944980 +1 1 3 2 H 1.33500322 +1 111.9711709 +1 -167.1293913 +1 4 1 3