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UHF CHARGE=-2 TRIPLET RELSCF=10 PM7 Cu(II)2Cl6(2-) (BPYCCU) <Cu-Cu> <Cu-Cl(t)><Cl-Cu-Cu> <Cu-Cl(br)><Cl-Cu-Cu> GR=CCDC Cu 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 Cu 3.61685100 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.25958300 +1 134.6034240 +1 0.0000000 +0 1 2 0 Cl 2.35539600 +1 40.0206590 +1 86.9069660 +1 1 2 3 Cl 2.37161993 +1 40.2057025 +1 87.2572822 +1 2 1 3 Cl 2.20817482 +1 122.0413950 +1 92.9617481 +1 2 1 5 Cl 2.21445234 +1 121.4393390 +1 179.6914031 +1 2 1 6 Cl 2.20746533 +1 114.7267067 +1 92.8064891 +1 1 2 4