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	hartrees
Energy at 0K	-2672.375213
Energy at 298.15K
HF Energy	-2671.869187
Nuclear repulsion energy	95.091943

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.359
F2	0.000	0.000	-1.394

	Br1	F2
Br1		1.7529
F2	1.7529

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

using model chemistry: CCSD/aug-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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