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	hartrees
Energy at 0K	-2647.503724
Energy at 298.15K	-2647.506547
HF Energy	-2647.164075
Nuclear repulsion energy	83.535218

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.330
O2	0.000	0.000	-1.444

	Br1	O2
Br1		1.7737
O2	1.7737

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

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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