Accuracy
titanium triiodide
6146 Titanium triiodide
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Geometry predicted using PM7
ΔHf: -35.9 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
Titanium triiodide
H=-35.9 HR=NIST
I 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ti 2.70212495 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.70212495 +1 120.0000000 +1 0.0000000 +0 2 1 0
I 2.70212495 +1 120.0000000 +1 180.0000000 +1 2 1 3
2 1 3 4