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

calcium, cation   2728 Calcium, cation

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    #  Species Formula
  2718 Potassium, dimerK2
  2719 K2O (Geo)OK2
  2720 Potassium fluoride, dimer (Geo)F2K2
  2721 Potassium fluoride, dimerF2K2
  2722 Potassium sulfide (Geo)SK2
  2723 Potassium sulfideSK2
  2724 Potassium sulfateO4SK2
  2725 Potassium chloride, dimer (Geo)Cl2K2
  2726 Potassium chloride, dimerCl2K2
  2727 Calcium, dicationCa
  2728 Calcium, cation Ca
  2729 Calcium, atomCa
  2730 Calcium hydride (CaH) (Geo)HCa
  2731 Calcium hydrideHCa
  2732 Calcium monoamide (Geo)H2NCa
  2733 Calcium cyanide (Geo)C2N2Ca
  2734 Calcium isocyanide (Geo)C2N2Ca
  2735 Ca(II)N6(2+) (QAKGAL) (Geo)H18N6Ca
  2736 Calcium trisethylenediamineC6H24N6Ca
  2737 Calcium trisethylenediamine (Geo)C6H24N6Ca
  2738 Calcium oxideOCa


ΔHf: 185.1 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).
  
 SCFCRT=1.D-3 CHARGE=1 PM7
Calcium, cation
 H=185.1 HR=WEPS1982
 Ca     0.00000000 +0   0.00000000 +0   0.00000000 +0