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	hartrees
Energy at 0K	-2647.771946
Energy at 298.15K	-2647.774792
HF Energy	-2647.256760
Nuclear repulsion energy	85.859483

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.321
O2	0.000	0.000	-1.405

	Br1	O2
Br1		1.7257
O2	1.7257

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

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

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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