PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylmercuric iodide
7957 Methylmercuric iodide
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ΔHf: 5.2 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: 1.3 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
PM7
Methylmercuric iodide
H=5.21 HR=WEPS1982 D=1.3 DR=MCC1974
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.04978659 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.58005819 +1 180.0000000 +0 0.0000000 +0 1 2 0
H 1.09780638 +1 111.4889909 +1 0.0000000 +0 2 1 3
H 1.09781244 +1 111.4919077 +1 119.9833509 +1 2 1 4
H 1.09781347 +1 111.5111599 +1 -120.0080750 +1 2 1 4