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	hartrees
Energy at 0K	-2646.502533
Energy at 298.15K
HF Energy	-2646.359502
Nuclear repulsion energy	87.099164

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.316
O2	0.000	0.000	-1.385

	Br1	O2
Br1		1.7012
O2	1.7012

All results from a given calculation for BrO (Bromine monoxide)

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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