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	hartrees
Energy at 0K	-416.378151
Energy at 298.15K
HF Energy	-416.093394
Nuclear repulsion energy	9.418440

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.366
Br2	0.000	0.000	0.039

	H1	Br2
H1		1.4046
Br2	1.4046

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

using model chemistry: MP3=FULL/cc-pVTZ-PP

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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