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

copper chloride   3668 Copper chloride

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3658 Copper(II) trifluoride, anion (Geo)F3Cu
  3659 Copper(II) tetrafluoride, dianion (Geo)F4Cu
  3660 Cu(II)F4(H2O)2 (Geo)H4O2F4Cu
  3661 Copper sulfide (Geo)SCu
  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 chloride ClCu
  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


ΔHf: 21.8 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 5.2 Debye,     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 SHIFT=80 PM7
Copper chloride
 H=21.8 HR=JANAF86 DR=PW91D D=5.189
 Cu     0.00000000 +0   0.00000000 +0   0.00000000 +0
 Cl     2.04824092 +1   0.10000000 +0   0.00000000 +0