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	hartrees
Energy at 0K	-491.890045
Energy at 298.15K
HF Energy	-491.890045
Nuclear repulsion energy	61.611500

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.320
O2	0.000	0.000	-1.398

	Br1	O2
Br1		1.7178
O2	1.7178

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Br	0.307
2	O	-0.307

	x	y	z	Total
	0.000	0.000	1.724	1.724
CHELPG
AIM
ESP

All results from a given calculation for BrO (Bromine monoxide)

using model chemistry: HSEh1PBE/cc-pVTZ-PP

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>	32.519
(<r²>)^1/2	5.703