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	hartrees
Energy at 0K	-2571.819350
Energy at 298.15K	-2571.822327
HF Energy	-2571.773056
Nuclear repulsion energy	12.906251

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.395
Br2	0.000	0.000	0.040

	H1	Br2
H1		1.4351
Br2	1.4351

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

using model chemistry: B2PLYP=FULL/6-31G*

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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