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	hartrees
Energy at 0K	-2574.414392
Energy at 298.15K	-2574.417369
HF Energy	-2574.414392
Nuclear repulsion energy	12.930240

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

	H1	Br2
H1		1.4324
Br2	1.4324

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.120
2	Br	-0.120

	x	y	z	Total
	0.000	0.000	-0.918	0.918
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/cc-pVTZ

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>	13.581
(<r²>)^1/2	3.685