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

cuoclr   3672 Copper(III) oxide chloride (Geo)

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    #  Species Formula
  3662 Copper hydrogen sulfide (Geo)HSCu
  3663 Copper hydrogen sulfideHSCu
  3664 Cu(+) - H2S (Geo)H2SCu
  3665 Cu(+) - CH3SH (Geo)CH4SCu
  3666 Cu(SH)2H2S2Cu
  3667 Cu(SH)2 (Geo)H2S2Cu
  3668 Copper chlorideClCu
  3669 Copper(I) chlorideClCu
  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


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(III) oxide chloride
 <Cu=O> <Cu-Cl> GR=PW91D
 Cu     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.71116500 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.09871200 +1  179.3143937 +1    0.0000000 +0     1     2     0