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	hartrees
Energy at 0K	-2598.504323
Energy at 298.15K	-2598.505993
HF Energy	-2598.504323
Nuclear repulsion energy	48.457812

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.672
Br2	0.000	0.000	0.239

	B1	Br2
B1		1.9111
Br2	1.9111

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	-0.024
2	Br	0.024

	x	y	z	Total
	0.000	0.000	1.475	1.475
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/TZVP

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>	32.139
(<r²>)^1/2	5.669