Accuracy
barium dichloride
6357 Barium dichloride
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Geometry predicted using PM7
ΔHf: -125.7 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).
I.P.: 10.0 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Barium dichloride
H=-125.7 HR=WEPS1982 I=10.0 IR=LLNBS82
Cl 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ba 2.77164341 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.77164341 +0 179.9994323 +1 0.0000000 +0 2 1 0
2 1 3