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	hartrees
Energy at 0K	-2586.425621
Energy at 298.15K	-2586.427234
HF Energy	-2586.425621
Nuclear repulsion energy	46.889043

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.728
Br2	0.000	0.000	0.247

	B1	Br2
B1		1.9750
Br2	1.9750

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.037
2	Br	-0.037

	x	y	z	Total
	0.000	0.000	0.802	0.802
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/3-21G

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>	33.062
(<r²>)^1/2	5.750