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	hartrees
Energy at 0K	-2648.889609
Energy at 298.15K
HF Energy	-2648.889609
Nuclear repulsion energy	85.396033

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.323
O2	0.000	0.000	-1.412

	Br1	O2
Br1		1.7351
O2	1.7351

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Br	0.308
2	O	-0.308

	x	y	z	Total
	0.000	0.000	1.806	1.806
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/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>	34.141
(<r²>)^1/2	5.843