PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
potassium bromide
4189 Potassium bromide
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ΔHf: -43.0 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).
Dipole: 10.6 Debye, REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
I.P.: 7.8 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.
GEO-OK PM7
Potassium bromide
H=-43.04 HR=WEPS1982 D=10.60 DR=NIST I=7.85 IR=LLNBS82
K 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Br -2.85159560 +1 0.0000000 +0 0.0000000 +0 1 0 0