Accuracy

hg(ii)i4(2-) (dufhob10)   7964 Hg(II)I4(2-) (DUFHOB10)

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    #  Species Formula
  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
  7964 Hg(II)I4(2-) (DUFHOB10) I4Hg
  7965 Mercury dimer, cationHg2
  7966 Mercury, dimerHg2
  7967 Hg(I)HgO (HGFLAC10) (Geo)C4O4F6Hg2
  7968 Hg(I)HgO (HGFLAC10)C4O4F6Hg2
  7969 (mu-2-fluoro)-tetrakis(trifluoromethyl)-mercury_(TUQSUT) (Geo)C4F14Hg2
  7970 Hg(II)CCl (CLHGMA) (Geo)CH2Cl2Hg2
  7971 Hg(II)CCl (CLHGMA)CH2Cl2Hg2
  7972 Hg(II)PCl3 (MPHGCL10) (Geo)C6H18P2Cl4Hg2
  7973 Hg(II)Cl4(2-) (DEYMUP) (Geo)Cl6Hg2
  7974 Hg(II)Cl4(2-) (DEYMUP)Cl6Hg2


ΔHf: -87.4 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)I4(2-) (DUFHOB10)
 H=-87.4 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.70655587 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.70496160 +1  109.4706170 +1    0.0000000 +0     1     2     0
  I     2.70236892 +1  109.4864731 +1  120.0396531 +1     1     2     3
  I     2.70818050 +1  109.4305602 +1  119.9889213 +1     1     2     4