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	hartrees
Energy at 0K	-2673.438083
Energy at 298.15K
HF Energy	-2673.316270
Nuclear repulsion energy	92.913705

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.367
F2	0.000	0.000	-1.427

	Br1	F2
Br1		1.7940
F2	1.7940

All results from a given calculation for BrF (Bromine monofluoride)

using model chemistry: B2PLYP=FULLultrafine/daug-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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