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	hartrees
Energy at 0K	-24.396360
Energy at 298.15K	-24.397150
HF Energy	-24.333546
Nuclear repulsion energy	9.688373

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	1.064
Br2	0.000	0.000	-1.612

	I1	Br2
I1		2.6764
Br2	2.6764

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

using model chemistry: CCD/CEP-121G

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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