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	hartrees
Energy at 0K	-3071.001405
Energy at 298.15K
Nuclear repulsion energy	628.076985

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.272
F2	0.000	0.000	-1.479
F3	0.000	1.795	0.105
F4	-1.795	0.000	0.105
F5	0.000	-1.795	0.105
F6	1.795	0.000	0.105

	Br1	F2	F3	F4	F5	F6
Br1		1.7509	1.8028	1.8028	1.8028	1.8028
F2	1.7509		2.3940	2.3940	2.3940	2.3940
F3	1.8028	2.3940		2.5386	3.5902	2.5386
F4	1.8028	2.3940	2.5386		2.5386	3.5902
F5	1.8028	2.3940	3.5902	2.5386		2.5386
F6	1.8028	2.3940	2.5386	3.5902	2.5386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.687	F2	Br1	F4	84.687
F2	Br1	F5	84.687	F2	Br1	F6	84.687
F3	Br1	F4	89.509	F3	Br1	F5	169.374
F3	Br1	F6	89.509	F4	Br1	F5	89.509
F4	Br1	F6	169.374	F5	Br1	F6	89.509

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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