Accuracy
titanium dioxide
2900 Titanium dioxide
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Geometry predicted using PM7
ΔHf: -73.0 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 dioxide
H=-73.0 HR=NIST
O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ti 1.66661642 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.66661642 +0 112.5720570 +1 0.0000000 +0 2 1 0
2 1 3