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	hartrees
Energy at 0K	-2598.894623
Energy at 298.15K	-2598.896302
HF Energy	-2598.894623
Nuclear repulsion energy	48.598115

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.667
Br2	0.000	0.000	0.238

	B1	Br2
B1		1.9055
Br2	1.9055

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.017
2	Br	0.017

	x	y	z	Total
	0.000	0.000	1.272	1.272
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/6-311G*

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>	31.881
(<r²>)^1/2	5.646