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	hartrees
Energy at 0K	-2586.825784
Energy at 298.15K	-2586.827475
HF Energy	-2586.825784
Nuclear repulsion energy	48.785366

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.661
Br2	0.000	0.000	0.237

	B1	Br2
B1		1.8982
Br2	1.8982

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.158
2	Br	-0.158

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/3-21G*

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>	31.632
(<r²>)^1/2	5.624