PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylmercuric chloride
7926 Methylmercuric chloride
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ΔHf: -12.5 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: 3.4 Debye, REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Vol 2, Rahara Enterprises, El Cerrito, (1974).
I.P.: 10.9 eV, REF: J. H. D. Elan, Int. J. Mass Spect. Ion Phys. 4, 37 (1970).
PM7
Methylmercuric chloride
H=-12.5 HR=WEPS1982 D=3.36 DR=MCC1974 I=10.88 IR=E1970
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.04724859 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.28936989 +1 180.0000000 +0 0.0000000 +0 1 2 0
H 1.09898808 +1 111.6194593 +1 0.0000000 +0 2 1 3
H 1.09899628 +1 111.6222947 +1 119.9804590 +1 2 1 4
H 1.09899103 +1 111.6431037 +1 -120.0106892 +1 2 1 4