PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
lithium fluoride, trimer
1577 Lithium fluoride, trimer
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ΔHf: -362.6 kcal/mol, 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.
SYMMETRY PM7
Lithium fluoride, trimer
H=-362.62 HR=NIST
Li 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.58550549 +1 0.0000000 +0 0.0000000 +0 0 0 0
Li 1.58587387 +1 115.4116119 +1 0.0000000 +0 2 1 0
F 1.58550549 +0 124.5963148 +1 0.0000000 +0 3 2 1
Li 1.58587387 +0 115.4116119 +0 0.0000000 +0 4 3 2
F 1.58550549 +0 124.5963148 +0 0.0000000 +0 5 4 3