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	hartrees
Energy at 0K	-2574.455922
Energy at 298.15K	-2574.458900
HF Energy	-2574.455922
Nuclear repulsion energy	13.044886

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.380
Br2	0.000	0.000	0.039

	H1	Br2
H1		1.4198
Br2	1.4198

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.145
2	Br	-0.145

	x	y	z	Total
	0.000	0.000	-1.102	1.102
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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>	13.488
(<r²>)^1/2	3.673