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	hartrees
Energy at 0K	-5223.745447
Energy at 298.15K	-5223.751666
HF Energy	-5223.745447
Nuclear repulsion energy	369.542010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	560	536	4.05
2	A₁	183	175	0.15
3	B₂	652	624	0.71

Atom	y (Å)	z (Å)
O1	0.000	0.905
Br2	1.549	-0.103
Br3	-1.549	-0.103

	O1	Br2	Br3
O1		1.8485	1.8485
Br2	1.8485		3.0982
Br3	1.8485	3.0982

Number	Element	Mulliken
1	O	-0.731
2	Br	0.365
3	Br	0.365

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

using model chemistry: mPW1PW91/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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<r²>	200.515
(<r²>)^1/2	14.160