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	hartrees
Energy at 0K	-5224.234825
Energy at 298.15K	-5224.241042
HF Energy	-5224.234825
Nuclear repulsion energy	373.980705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	558	535	4.46
2	A₁	180	173	0.15
3	B₂	659	631	0.07

Atom	y (Å)	z (Å)
O1	0.000	0.888
Br2	1.532	-0.101
Br3	-1.532	-0.101

	O1	Br2	Br3
O1		1.8240	1.8240
Br2	1.8240		3.0648
Br3	1.8240	3.0648

Number	Element	Mulliken
1	O	-0.609
2	Br	0.305
3	Br	0.305

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

using model chemistry: B1B95/aug-cc-pVTZ

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>	196.563
(<r²>)^1/2	14.020