PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ethylmercuric bromide
7947 Ethylmercuric bromide
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ΔHf: -7.2 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: 2.8 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
PM7
Ethylmercuric bromide
H=-7.2 HR=WEPS1982 D=2.8 DR=MCC1974
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52434128 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09736152 +1 113.0928615 +1 0.0000000 +0 2 1 0
H 1.09746027 +1 113.0311067 +1 122.5529220 +1 2 1 3
H 1.10009221 +1 110.1404749 +1 -118.7752270 +1 2 1 3
H 1.11000869 +1 109.4018641 +1 61.6952557 +1 1 2 3
H 1.11004496 +1 109.3794358 +1 177.0276302 +1 1 2 3
Hg 2.07296718 +1 113.9982041 +1 -60.6505768 +1 1 2 3
Br 2.41039268 +1 178.5254157 +1 0.4073791 +1 8 1 2