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	hartrees
Energy at 0K	-2575.153910
Energy at 298.15K	-2575.156887
HF Energy	-2575.153910
Nuclear repulsion energy	13.062978

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.378
Br2	0.000	0.000	0.039

	H1	Br2
H1		1.4178
Br2	1.4178

Number	Element	Mulliken	CHELPG	AIM	ESP
1	H	0.052
2	Br	-0.052

	x	y	z	Total
	0.000	0.000	-0.850	0.850
CHELPG
AIM
ESP

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

using model chemistry: B1B95/aug-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>	13.510
(<r²>)^1/2	3.676