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	hartrees
Energy at 0K	-2597.248582
Energy at 298.15K	-2597.250254
HF Energy	-2597.012575
Nuclear repulsion energy	48.092156

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.685
Br2	0.000	0.000	0.241

	B1	Br2
B1		1.9257
Br2	1.9257

All results from a given calculation for BBr (Boron monobromide)

using model chemistry: QCISD(T)/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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