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	hartrees
Energy at 0K	-5214.945804
Energy at 298.15K	-5214.951985
HF Energy	-5214.504044
Nuclear repulsion energy	365.649430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	526	497	1.32
2	A₁	186	176	0.24
3	B₂	636	601	0.06

Atom	y (Å)	z (Å)
O1	0.000	0.941
Br2	1.559	-0.108
Br3	-1.559	-0.108

	O1	Br2	Br3
O1		1.8789	1.8789
Br2	1.8789		3.1176
Br3	1.8789	3.1176

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

using model chemistry: CCSD/6-31G*

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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