Accuracy

methylmercury   7887 Methylmercury

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    #  Species Formula
  7877 Au(II)2C4Cl2 (EMPLAU) (Geo)C12H28P2Cl2Au2
  7878 Au(II)2C5I (BIBPIL) (Geo)C9H23P2IAu2
  7879 Au(I)2P2I2 (FUWFIM) (Geo)C6H18P2I2Au2
  7880 (Au(CH3)2(CN))4C12H24N4Au4
  7881 (Au(CH3)2(CN))4 (Geo)C12H24N4Au4
  7882 Mercury, dicationHg
  7883 Mercury, cationHg
  7884 Mercury, atomHg
  7885 Mercury hydride (Geo)HHg
  7886 Mercury hydrideHHg
  7887 Methylmercury CH3Hg
  7888 Dimethylmercury, cationC2H6Hg
  7889 DimethylmercuryC2H6Hg
  7890 DiethylmercuryC4H10Hg
  7891 Di-n-propylmercuryC6H14Hg
  7892 DiisopropylmercuryC6H14Hg
  7893 DiphenylmercuryC12H10Hg
  7894 Methylmercuric cyanide (Geo)C2H3NHg
  7895 Methylmercuric cyanideC2H3NHg
  7896 Hg(CN)2 (Geo)C2N2Hg
  7897 Mercuric cyanideC2N2Hg


ΔHf: 40.0 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).
  
 SHIFT=10 SYMMETRY PM7
Methylmercury
 H=40.0 HR=WEPS1982
 
 Hg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.07030366 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09669192 +1  111.2675696 +1    0.0000000 +0     2     1     0
  H     1.09669192 +1  111.2675696 +1  120.0000000 +1     2     1     3
  H     1.09669192 +1  111.2675696 +1 -120.0000000 +1     2     1     3
 
   3  1    4    5
   3  2    4    5