Accuracy

hg(ii)ccl (clhgma)   7971 Hg(II)CCl (CLHGMA)

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    #  Species Formula
  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
  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


ΔHf: -18.1 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)CCl (CLHGMA)
 H=-18.1 HR=PW91D
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.28814576 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.04064217 +1  178.0457531 +1    0.0000000 +0     1     2     0
 Hg     2.03991204 +1  108.3644815 +1 -179.4512836 +1     3     1     2
 Cl     2.28778464 +1  146.1738779 +1  179.9355974 +1     4     1     3
  H     1.11341194 +1  110.7902313 +1  121.6076293 +1     3     1     4
  H     1.11288606 +1  110.9855375 +1  116.5063392 +1     3     1     6