PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ethylmercuric iodide   7958 Ethylmercuric iodide

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    #  Species Formula
  7948 Hg(II)Br2 (ACNHGB) (Geo)Br2Hg
  7949 Hg(II)Br2 (ACNHGB)Br2Hg
  7950 Mercury dibromide (Geo)Br2Hg
  7951 Mercury dibromideBr2Hg
  7952 18-Crown-6-dibromo-mercury(ii) (POLKEG) (Geo)C12H24O6Br2Hg
  7953 Hg(II)Br4(2-) (BOPGOC11) (Geo)Br4Hg
  7954 Hg(II)Br4(2-) (BOPGOC11)Br4Hg
  7955 Mercury iodide (Geo)IHg
  7956 Methylmercuric iodide (Geo)CH3IHg
  7957 Methylmercuric iodideCH3IHg
  7958 Ethylmercuric iodide C2H5IHg
  7959 Mercury diiodide (Geo)I2Hg
  7960 Mercury diiodideI2Hg
  7961 18-Crown-6-diiodo-mercury (DENZUR03) (Geo)C12H24O6I2Hg
  7962 Hg(II)S2I2 (HGITUR) (Geo)C2H8N4S2I2Hg
  7963 Hg(II)S2I2 (HGITUR)C2H8N4S2I2Hg
  7964 Hg(II)I4(2-) (DUFHOB10) (Geo)I4Hg
  7965 Hg(II)I4(2-) (DUFHOB10)I4Hg
  7966 Mercury dimer, cationHg2
  7967 Mercury, dimerHg2
  7968 Hg(I)HgO (HGFLAC10) (Geo)C4O4F6Hg2


ΔHf: 3.3 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 3.0 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
  
 PM7
Ethylmercuric iodide
 H=3.3 D=3.04 HR=WEPS1982 DR=MCC1974
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52398063 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09724166 +1  113.1600650 +1    0.0000000 +0     2     1     0
  H     1.09739758 +1  113.1040264 +1  122.6187286 +1     2     1     3
  H     1.10027203 +1  110.1246260 +1 -118.7636663 +1     2     1     3
  H     1.10943741 +1  109.5070281 +1   61.4159702 +1     1     2     3
  H     1.10945193 +1  109.4978245 +1  177.0928740 +1     1     2     3
 Hg     2.07000791 +1  113.8901731 +1  -60.7607903 +1     1     2     3
  I     2.58104779 +1  178.1960119 +1    0.7135586 +1     8     1     2