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	hartrees
Energy at 0K	-2672.330688
Energy at 298.15K
HF Energy	-2671.870222
Nuclear repulsion energy	96.159062

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.355
F2	0.000	0.000	-1.379

	Br1	F2
Br1		1.7335
F2	1.7335

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

using model chemistry: CID/daug-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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