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	hartrees
Energy at 0K	-2597.599496
Energy at 298.15K	-2597.601182
HF Energy	-2597.092862
Nuclear repulsion energy	49.060404

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.652
Br2	0.000	0.000	0.236

	B1	Br2
B1		1.8875
Br2	1.8875

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

using model chemistry: CCSD(T)=FULL/cc-pVQZ

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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