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	hartrees
Energy at 0K	-5218.624223
Energy at 298.15K	-5218.630416
HF Energy	-5218.624223
Nuclear repulsion energy	373.474111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	548	529	2.48
2	A₁	181	175	0.09
3	B₂	629	607	2.65

Atom	y (Å)	z (Å)
O1	0.000	0.883
Br2	1.538	-0.101
Br3	-1.538	-0.101

	O1	Br2	Br3
O1		1.8256	1.8256
Br2	1.8256		3.0752
Br3	1.8256	3.0752

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

using model chemistry: TPSSh/6-31G(2df,p)

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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