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	hartrees
Energy at 0K	-2724.392365
Energy at 298.15K
HF Energy	-2724.392365
Nuclear repulsion energy	187.796674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	786	762	2.21	74.35	0.25	0.40
2	A₁	304	295	17.55	4.93	0.74	0.85
3	B₂	824	799	14.24	18.99	0.75	0.86

Atom	y (Å)	z (Å)
Br1	0.000	0.280
O2	1.428	-0.613
O3	-1.428	-0.613

	Br1	O2	O3
Br1		1.6843	1.6843
O2	1.6843		2.8558
O3	1.6843	2.8558

Number	Element	Mulliken
1	Br	0.859
2	O	-0.429
3	O	-0.429

All results from a given calculation for OBrO (Bromine dioxide radical)

using model chemistry: B3LYPultrafine/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>	59.590
(<r²>)^1/2	7.719