PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

Cu(II)O2Cl2 (CETDCU10)   3680 Cu(II)O2Cl2 (CETDCU10)

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    #  Species Formula
  3670 Copper(I) chloride (Geo)ClCu
  3671 Copper(III) oxide chlorideOClCu
  3672 Copper(III) oxide chloride (Geo)OClCu
  3673 Methyl copper(II) dichloride (Geo)CH3Cl2Cu
  3674 Cu(II)N2Cl2 (AEPYCC10) (Geo)C7H10N2Cl2Cu
  3675 Cu(II)N2Cl2 (AEPYCC10)C7H10N2Cl2Cu
  3676 Cu(II)N3Cl2 (CLAZCU) (Geo)C6H15N3Cl2Cu
  3677 Cu(II)N3Cl2 (CLAZCU)C6H15N3Cl2Cu
  3678 Copper(II) dichloride, dihydrate (Geo)H4O2Cl2Cu
  3679 Cu(II)O2Cl2 (CETDCU10) (Geo)C2H6O2Cl2Cu
  3680 Cu(II)O2Cl2 (CETDCU10) C2H6O2Cl2Cu
  3681 Cu(II)Cl2O2N2 (AQCYCU) (Geo)C4H12N8O2Cl2Cu
  3682 Cu(II)Cl2O2N2 (AQCYCU)C4H12N8O2Cl2Cu
  3683 Cu(II)Cl2S2 (BOSMIF) (Geo)C6H14S2Cl2Cu
  3684 Cu(II)Cl2S2 (BOSMIF)C6H14S2Cl2Cu
  3685 Copper(II) trichloride, anionCl3Cu
  3686 Copper(II) trichloride, anion (Geo)Cl3Cu
  3687 Cu(II)Cl4(2-) (AGAWIO) (Geo)Cl4Cu
  3688 Cu(II)Cl4(2-) (AGAWIO)Cl4Cu
  3689 Copper(II) tetrachloride, dianion (Geo)Cl4Cu
  3690 Copper dimerCu2


ΔHf: -123.0 kcal/mol,     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.
  
 UHF PM7
Cu(II)O2Cl2 (CETDCU10)
 H=-123.0 HR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.08109587 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     3.25659693 +1   43.4991476 +1    0.0000000 +0     1     2     0
  O     3.52991014 +1   59.6053839 +1 -113.0241289 +1     1     2     3
  O     2.12225392 +1   91.9052597 +1  -50.7815849 +1     1     2     3
  H     0.97711048 +1  119.7915895 +1 -113.2636970 +1     4     1     2
  H     1.00175795 +1  101.7900576 +1   66.4457972 +1     5     1     2
  H     2.07189440 +1   39.6098194 +1  -62.2561340 +1     4     1     6
  H     1.79142501 +1   64.2268216 +1 -145.4169997 +1     8     4     1
  H     2.24667149 +1   69.1764528 +1 -100.9129349 +1     7     5     1
  H     1.80889452 +1   73.2734829 +1  -59.8512146 +1    10     7     5
  C     1.10459872 +1   36.2598890 +1   38.6131016 +1     9     8     4
  C     1.10244511 +1   35.4041505 +1   65.9693404 +1    11    10     7