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	hartrees
Energy at 0K	-2599.017633
Energy at 298.15K	-2599.019308
HF Energy	-2599.017633
Nuclear repulsion energy	48.721711

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.663
Br2	0.000	0.000	0.238

	B1	Br2
B1		1.9007
Br2	1.9007

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.146
2	Br	0.146

	x	y	z	Total
	0.000	0.000	1.445	1.445
CHELPG
AIM
ESP

All results from a given calculation for BBr (Boron monobromide)

using model chemistry: B3LYP/aug-cc-pVQZ

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>	32.018
(<r²>)^1/2	5.658