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	hartrees
Energy at 0K	-2574.743535
Energy at 298.15K	-2574.746513
HF Energy	-2574.743535
Nuclear repulsion energy	12.784480

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.408
Br2	0.000	0.000	0.040

	H1	Br2
H1		1.4487
Br2	1.4487

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.193
2	Br	-0.193

	x	y	z	Total
	0.000	0.000	-1.067	1.067
CHELPG
AIM
ESP

All results from a given calculation for HBr (hydrogen bromide)

using model chemistry: BLYP/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>	13.682
(<r²>)^1/2	3.699