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	hartrees
Energy at 0K	-2574.365727
Energy at 298.15K	-2574.368704
HF Energy	-2574.365727
Nuclear repulsion energy	12.926840

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.393
Br2	0.000	0.000	0.040

	H1	Br2
H1		1.4328
Br2	1.4328

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.144
2	Br	-0.144

	x	y	z	Total
	0.000	0.000	-1.065	1.065
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/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>	13.576
(<r²>)^1/2	3.685