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	hartrees
Energy at 0K	-2571.921546
Energy at 298.15K	-2571.924523
HF Energy	-2571.921546
Nuclear repulsion energy	12.895757

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.396
Br2	0.000	0.000	0.040

	H1	Br2
H1		1.4362
Br2	1.4362

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	-0.022
2	Br	0.022

	x	y	z	Total
	0.000	0.000	-0.923	0.923
CHELPG
AIM
ESP

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

using model chemistry: LSDA/aug-cc-pVDZ

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>	13.625
(<r²>)^1/2	3.691