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	hartrees
Energy at 0K	-3070.544444
Energy at 298.15K
Nuclear repulsion energy	628.594619

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.272
F2	0.000	0.000	-1.471
F3	0.000	1.795	0.103
F4	-1.795	0.000	0.103
F5	0.000	-1.795	0.103
F6	1.795	0.000	0.103

	Br1	F2	F3	F4	F5	F6
Br1		1.7428	1.8034	1.8034	1.8034	1.8034
F2	1.7428		2.3874	2.3874	2.3874	2.3874
F3	1.8034	2.3874		2.5391	3.5908	2.5391
F4	1.8034	2.3874	2.5391		2.5391	3.5908
F5	1.8034	2.3874	3.5908	2.5391		2.5391
F6	1.8034	2.3874	2.5391	3.5908	2.5391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.618	F2	Br1	F4	84.618
F2	Br1	F5	84.618	F2	Br1	F6	84.618
F3	Br1	F4	89.496	F3	Br1	F5	169.236
F3	Br1	F6	89.496	F4	Br1	F5	89.496
F4	Br1	F6	169.236	F5	Br1	F6	89.496

All results from a given calculation for BrF₅ (bromine pentafluoride)

using model chemistry: MP2/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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All results from a given calculation for BrF5 (bromine pentafluoride)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for BrF₅ (bromine pentafluoride)