PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
fef3
3398 FeF3
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ΔHf: -188.0 kcal/mol, REF: S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, "Gas Phase Ion and Neutral Thermochemistry", J. Phys. Chem., i Ref. Data, Suppl. 1, 17 (1988).
QUARTET UHF PM7
FeF3
HR=LBLHLM88 H=-188.0
Fe 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.69229138 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.62528685 +1 143.6008321 +1 0.0000000 +0 1 2 0
F 1.69267097 +1 72.6857731 +1 -179.8281178 +1 1 2 3