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	hartrees
Energy at 0K	-5220.036811
Energy at 298.15K	-5220.043031
HF Energy	-5219.522649
Nuclear repulsion energy	367.169436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	544	527	3.59
2	A₁	183	178	0.19
3	B₂	671	650	2.23

Atom	y (Å)	z (Å)
O1	0.000	0.928
Br2	1.555	-0.106
Br3	-1.555	-0.106

	O1	Br2	Br3
O1		1.8671	1.8671
Br2	1.8671		3.1098
Br3	1.8671	3.1098

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

using model chemistry: QCISD/aug-cc-pVDZ

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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