Accuracy

hg(ii)br4(2-) (bopgoc11)   7953 Hg(II)Br4(2-) (BOPGOC11)

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    #  Species Formula
  7943 Mercury bromideBrHg
  7944 Methylmercuric bromide (Geo)CH3BrHg
  7945 Methylmercuric bromideCH3BrHg
  7946 Ethylmercuric bromideC2H5BrHg
  7947 Hg(II)Br2 (ACNHGB) (Geo)Br2Hg
  7948 Hg(II)Br2 (ACNHGB)Br2Hg
  7949 Mercury dibromide (Geo)Br2Hg
  7950 Mercury dibromideBr2Hg
  7951 18-Crown-6-dibromo-mercury(ii) (POLKEG) (Geo)C12H24O6Br2Hg
  7952 Hg(II)Br4(2-) (BOPGOC11) (Geo)Br4Hg
  7953 Hg(II)Br4(2-) (BOPGOC11) Br4Hg
  7954 Mercury iodide (Geo)IHg
  7955 Methylmercuric iodide (Geo)CH3IHg
  7956 Methylmercuric iodideCH3IHg
  7957 Ethylmercuric iodideC2H5IHg
  7958 Mercury diiodide (Geo)I2Hg
  7959 Mercury diiodideI2Hg
  7960 18-Crown-6-diiodo-mercury (DENZUR03) (Geo)C12H24O6I2Hg
  7961 Hg(II)S2I2 (HGITUR) (Geo)C2H8N4S2I2Hg
  7962 Hg(II)S2I2 (HGITUR)C2H8N4S2I2Hg
  7963 Hg(II)I4(2-) (DUFHOB10) (Geo)I4Hg


ΔHf: -123.9 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
Hg(II)Br4(2-) (BOPGOC11)
 H=-123.9 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.53991238 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.54025861 +1  109.4448480 +1    0.0000000 +0     1     2     0
 Br     2.53956164 +1  109.3134959 +1  119.9335456 +1     1     2     3
 Br     2.53978197 +1  109.6636254 +1  120.0205465 +1     1     2     4