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

calcium monochloride   2785 Calcium monochloride

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    #  Species Formula
  2775 Calcium difluoride (Geo)F2Ca
  2776 Calcium difluorideF2Ca
  2777 Calcium sulfideSCa
  2778 Calcium sulfide (Geo)SCa
  2779 CaSO4.(H2O)2 (Geo)H4O6SCa
  2780 Ca(++)(H2S)2H4S2Ca
  2781 Ca(++)(H2S)2 (Geo)H4S2Ca
  2782 Ca(II)N6O (BUKZUC) (Geo)C22H18N6OS2Ca
  2783 Ca(II)N6O (BUKZUC)C22H18N6OS2Ca
  2784 Calcium monochloride (Geo)ClCa
  2785 Calcium monochloride ClCa
  2786 Calcium hydroxide fluorideHOClCa
  2787 Ca(++)(H2O)5.ClH10O5ClCa
  2788 Ca(++)(H2O)5.Cl (Geo)H10O5ClCa
  2789 Calcium dichloride (Geo)Cl2Ca
  2790 Calcium dichlorideCl2Ca
  2791 Ca(II)Cl4O2(2-) (DILXOL) (Geo)H4O2Cl4Ca
  2792 Ca(II)Cl4O2(2-) (DILXOL)H4O2Cl4Ca
  2793 Ca(II)2O12Cl2(2+) (NADQEP) (Geo)C12H28O14Cl2Ca2
  2794 Ca(II)2O12Cl2(2+) (NADQEP)C12H28O14Cl2Ca2
  2795 Scandium, cationSc


ΔHf: -23.4 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 4.3 Debye,     REF: W. E. Ernst, J. Kandler, J. Ludtke, T. Torring, J. Chem. Phys., 83 2744 (1985).
  
 GEO-OK PM7
Calcium monochloride
 D=4.27 DR=EKLT1985 H=-23.4 HR=WEPS1982
 Ca     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.45805129 +1    0.0000000 +0    0.0000000 +0     1     0     0