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	hartrees
Energy at 0K	-5197.907492
Energy at 298.15K	-5197.913635
HF Energy	-5197.907492
Nuclear repulsion energy	362.037052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	543	518	0.28
2	A₁	169	161	0.22
3	B₂	588	561	38.62

Atom	y (Å)	z (Å)
O1	0.000	0.955
Br2	1.573	-0.109
Br3	-1.573	-0.109

	O1	Br2	Br3
O1		1.8995	1.8995
Br2	1.8995		3.1464
Br3	1.8995	3.1464

Number	Element	Mulliken
1	O	-0.285
2	Br	0.142
3	Br	0.142

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

using model chemistry: PBEPBE/3-21G*

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>	205.891
(<r²>)^1/2	14.349