Accuracy

be(ii)2cl6(2-) (equnuz)   2638 Be(II)2Cl6(2-) (EQUNUZ)

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    #  Species Formula
  2628 Sulfur tetrachlorideSCl4
  2629 SOCl4OSCl4
  2630 PentachloroethaneHC2Cl5
  2631 PentachlorobenzeneHC6Cl5
  2632 PentachlorophenolHC6OCl5
  2633 Silicon pentachloride, anionSiCl5
  2634 Phosphorus pentachloride (Geo)PCl5
  2635 Phosphorus pentachloridePCl5
  2636 Sulfur pentachlorideSCl5
  2637 Be(II)2Cl6(2-) (EQUNUZ) (Geo)Be2Cl6
  2638 Be(II)2Cl6(2-) (EQUNUZ) Be2Cl6
  2639 Hexachloroethane (Geo)C2Cl6
  2640 HexachloroethaneC2Cl6
  2641 Hexachlorobenzene (Geo)C6Cl6
  2642 HexachlorobenzeneC6Cl6
  2643 gamma HexachlorocyclohexaneC6H6Cl6
  2644 Al2Cl6 (Geo)Al2Cl6
  2645 Aluminum trichloride dimerAl2Cl6
  2646 HexachlorodisilaneSi2Cl6
  2647 Hexachloro-1,3,5,2,4,6-triazatriphosphorineN3P3Cl6
  2648 Sulfur hexachloride (Geo)SCl6


ΔHf: -357.2 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.
  
 CHARGE=-2 PM7
Be(II)2Cl6(2-) (EQUNUZ)
 H=-357.2 HR=PW91D
 Be     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Be     2.74999096 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     1.92686315 +1  123.2026038 +1    0.0000000 +0     1     2     0
 Cl     2.03293282 +1   47.2085547 +1   90.6290201 +1     2     1     3
 Cl     2.03309449 +1   47.1736880 +1   89.3359765 +1     1     2     3
 Cl     1.92737849 +1  122.9981787 +1   89.1058594 +1     2     1     4
 Cl     1.92686488 +1  123.1774736 +1 -178.6562197 +1     2     1     6
 Cl     1.92736335 +1  122.9867679 +1   89.8870491 +1     1     2     5