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	hartrees
Energy at 0K	-3067.781373
Energy at 298.15K
Nuclear repulsion energy	631.725103

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.276
F2	0.000	0.000	-1.467
F3	0.000	1.784	0.098
F4	-1.784	0.000	0.098
F5	0.000	-1.784	0.098
F6	1.784	0.000	0.098

	Br1	F2	F3	F4	F5	F6
Br1		1.7432	1.7930	1.7930	1.7930	1.7930
F2	1.7432		2.3730	2.3730	2.3730	2.3730
F3	1.7930	2.3730		2.5230	3.5681	2.5230
F4	1.7930	2.3730	2.5230		2.5230	3.5681
F5	1.7930	2.3730	3.5681	2.5230		2.5230
F6	1.7930	2.3730	2.5230	3.5681	2.5230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.285	F2	Br1	F4	84.285
F2	Br1	F5	84.285	F2	Br1	F6	84.285
F3	Br1	F4	89.432	F3	Br1	F5	168.570
F3	Br1	F6	89.432	F4	Br1	F5	89.432
F4	Br1	F6	168.570	F5	Br1	F6	89.432

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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