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	hartrees
Energy at 0K	-5214.891851
Energy at 298.15K	-5214.898103
HF Energy	-5214.506377
Nuclear repulsion energy	370.047411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	561	519	2.34
2	A₁	197	182	0.21
3	B₂	702	650	3.10

Atom	y (Å)	z (Å)
O1	0.000	0.919
Br2	1.543	-0.105
Br3	-1.543	-0.105

	O1	Br2	Br3
O1		1.8522	1.8522
Br2	1.8522		3.0861
Br3	1.8522	3.0861

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

using model chemistry: CISD/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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