Accuracy

hg(ii)cl2 (bithiv10)   7929 Hg(II)Cl2 (BITHIV10)

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    #  Species Formula
  7919 Hg(II)S4 (HGETCB10)C10H20N2S4Hg
  7920 Hg(II)S4 (HGTHUR) (Geo)C4H8N6S4Hg
  7921 Hg(II)S4 (HGTHUR)C4H8N6S4Hg
  7922 Mercury chloride (Geo)ClHg
  7923 Mercury chlorideClHg
  7924 Methylmercuric chloride (Geo)CH3ClHg
  7925 Methylmercuric chlorideCH3ClHg
  7926 Ethylmercuric chlorideC2H5ClHg
  7927 n-Propylmercuric chlorideC3H7ClHg
  7928 Hg(II)Cl2 (BITHIV10) (Geo)Cl2Hg
  7929 Hg(II)Cl2 (BITHIV10) Cl2Hg
  7930 Mercury dichloride (Geo)Cl2Hg
  7931 Mercury dichlorideCl2Hg
  7932 18-Crown-6-dichloro-mercury(II) (CESZOP) (Geo)C12H24O6Cl2Hg
  7933 Hg(II)P2Cl2 (CLTEHG) (Geo)C12H30P2Cl2Hg
  7934 Hg(II)Cl2S2 (CTSCHG) (Geo)C2H10N6S2Cl2Hg
  7935 Hg(II)Cl2S2 (CTSCHG)C2H10N6S2Cl2Hg
  7936 Hg(II)Cl3(-) (DOTLIH) (Geo)Cl3Hg
  7937 Hg(II)Cl3(-) (DOTLIH)Cl3Hg
  7938 Hg(II)Cl4(2-) (BEGZIW) (Geo)Cl4Hg
  7939 Hg(II)Cl4(2-) (BEGZIW)Cl4Hg


ΔHf: -32.0 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.
  
 PM7
Hg(II)Cl2 (BITHIV10)
 H=-32.0 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.24824743 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.24815104 +1  179.9274540 +1    0.0000000 +0     1     2     0