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	hartrees
Energy at 0K	-5220.621594
Energy at 298.15K
HF Energy	-5219.706265
Nuclear repulsion energy	373.799400

Atom	y (Å)	z (Å)
O1	0.000	0.911
Br2	1.527	-0.104
Br3	-1.527	-0.104

	O1	Br2	Br3
O1		1.8338	1.8338
Br2	1.8338		3.0548
Br3	1.8338	3.0548

All results from a given calculation for BrOBr (Bromine oxide)

using model chemistry: CCSD(T)/aug-cc-pVQZ

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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