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	hartrees
Energy at 0K	-2572.027324
Energy at 298.15K	-2572.030302
HF Energy	-2571.949471
Nuclear repulsion energy	13.168292

Atom	x (Å)	y (Å)	z (Å)
H1	0.000	0.000	-1.367
Br2	0.000	0.000	0.039

	H1	Br2
H1		1.4065
Br2	1.4065

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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