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	hartrees
Energy at 0K	-24.358164
Energy at 298.15K	-24.358932
HF Energy	-24.293899
Nuclear repulsion energy	9.582416

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	1.077
Br2	0.000	0.000	-1.630

	I1	Br2
I1		2.7067
Br2	2.7067

All results from a given calculation for IBr (Iodine monobromide)

using model chemistry: CCSD(T)/SDD

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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