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UHF SYMMETRY KING MS=1 PM7 Pt6 <Pt-Pt> <Pt-Pt'> GR=DMOL Pt 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Pt 2.70800000 +1 0.0000000 +0 0.0000000 +0 1 0 0 Pt 2.70800000 +0 60.0000000 +0 0.0000000 +0 1 2 0 Pt 2.48500000 +1 60.0000000 +0 -180.0000000 +0 3 1 2 Pt 2.48500000 +0 119.4256601 +1 -180.0000000 +0 3 1 4 Pt 2.48500000 +0 58.1809857 +1 -180.0000000 +0 1 2 3 2 1 3 4 1 5 6