Accuracy
arsenic trifluoride
3998 Arsenic trifluoride
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Geometry predicted using PM7
ΔHf: -187.8 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.: 12.3 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.
SYMMETRY PM7
Arsenic trifluoride
H=-187.80 HR=WEPS1982 I=12.3 IR=LLNBS82 S=69.1 CP=15.68
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
As 1.70291100 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.70291100 +0 99.7455205 +1 0.0000000 +0 2 1 0
F 1.70291100 +0 99.7455205 +0 -101.8336556 +1 2 1 3
2 1 3 4
3 2 4