PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bismuth, dimer
8241 Bismuth, dimer
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ΔHf: 52.5 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).
I.P.: 7.3 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 FIELD=(0.1,0.2,0.3) PM7
Bismuth, dimer
H=52.5 HR=WEPS1982 I=7.3 IR=LLNBS82
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 3.23423957 +1 0.0000000 +0 0.0000000 +0 1 0 0