Accuracy

hg(ii)cl4(2-) (deymup)   7974 Hg(II)Cl4(2-) (DEYMUP)

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    #  Species Formula
  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
  7975 Hg(II)NI2 (EWOREN) (Geo)C4H4N2I4Hg2
  7976 Hg(II)NI2 (EWOREN)C4H4N2I4Hg2
  7977 Hg(II)CCl (BIYFIY) (Geo)HC2OCl3Hg3
  7978 Hg(II)CCl (BIYFIY)HC2OCl3Hg3
  7979 Hg(II)CBr (BIYFOE) (Geo)HC2OBr3Hg3
  7980 Hg(II)CBr (BIYFOE)HC2OBr3Hg3
  7981 Thallium (+++)Tl
  7982 Thallium, dicationTl
  7983 Thallium, cationTl
  7984 Thallium, atomTl


ΔHf: -222.4 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)Cl4(2-) (DEYMUP)
 H=-222.4 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Hg     3.67901154 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.36227887 +1  124.7353339 +1    0.0000000 +0     1     2     0
 Cl     2.48369894 +1   42.0067139 +1  -91.1173773 +1     2     1     3
 Cl     2.36202960 +1  124.3266652 +1  -88.0787910 +1     2     1     4
 Cl     2.36247244 +1  124.7195904 +1  178.6111477 +1     2     1     5
 Cl     2.48443352 +1   42.0621337 +1  -88.8136769 +1     1     2     3
 Cl     2.36196114 +1  124.3261958 +1  -90.2308412 +1     1     2     7