Accuracy

copper(i) chloride, trimer r   3697 Copper(I) chloride, trimer (Geo)

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    #  Species Formula
  3687 Cu(II)Cl4(2-) (AGAWIO)Cl4Cu
  3688 Copper(II) tetrachloride, dianion (Geo)Cl4Cu
  3689 Copper dimerCu2
  3690 Cu-Cu (Geo)Cu2
  3691 Cu(II)2O10 (ACURCU02) (Geo)C10H20N4O10Cu2
  3692 Cu(II)2O10 (ACURCU02)C10H20N4O10Cu2
  3693 Cu(II)2N2O2Cl2S2 (BICTAI) (Geo)C12H28N2O2S2Cl2Cu2
  3694 Cu(II)2N2O2Cl2S2 (BICTAI)C12H28N2O2S2Cl2Cu2
  3695 Cu(II)2Cl6(2-) (BPYCCU) (Geo)Cl6Cu2
  3696 Cu(II)2Cl6(2-) (BPYCCU)Cl6Cu2
  3697 Copper(I) chloride, trimer (Geo) Cl3Cu3
  3698 Cu3Cl3Cl3Cu3
  3699 Cyclo-tri-mu-thioacetamide-tris(chloro-copper(i)) (Geo)C6H12N3S3Cl3Cu3
  3700 Cyclo-tri-mu-(trimethylphosphine_sulfide)-tris(chlorocopper(i)) (TMPSCU10). (Geo)C9H27P3S3Cl3Cu3
  3701 tetrakis((mu-3-Chloro)-trimethylamino-copper) (Geo)C12H36N4Cl4Cu4
  3702 Zinc, dicationZn
  3703 Zinc, cationZn
  3704 Zinc, atomZn
  3705 Zinc hydrideHZn
  3706 Methyl zinc, cationCH3Zn
  3707 Ethyl zincC2H5Zn


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Copper(I) chloride, trimer
 <Cu-Cu> <Cu-Cl><Cu-Cu-Cl> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cu     2.60791900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.20721000 +0  113.1696930 +0    0.0000000 +0     2     1     0
 Cl     2.20298400 +1   54.0964440 +1 -179.6427950 +0     1     2     3
 Cl     2.20161140 +1   71.9813665 +1  -62.3028425 +1     1     2     3
 Cu     2.17939426 +1  121.1209743 +1   37.3583841 +1     5     1     2