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	hartrees
Energy at 0K	-3067.812754
Energy at 298.15K
Nuclear repulsion energy	633.082417

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.271
F2	0.000	0.000	-1.458
F3	0.000	1.783	0.101
F4	-1.783	0.000	0.101
F5	0.000	-1.783	0.101
F6	1.783	0.000	0.101

	Br1	F2	F3	F4	F5	F6
Br1		1.7287	1.7912	1.7912	1.7912	1.7912
F2	1.7287		2.3683	2.3683	2.3683	2.3683
F3	1.7912	2.3683		2.5217	3.5663	2.5217
F4	1.7912	2.3683	2.5217		2.5217	3.5663
F5	1.7912	2.3683	3.5663	2.5217		2.5217
F6	1.7912	2.3683	2.5217	3.5663	2.5217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.549	F2	Br1	F4	84.549
F2	Br1	F5	84.549	F2	Br1	F6	84.549
F3	Br1	F4	89.483	F3	Br1	F5	169.098
F3	Br1	F6	89.483	F4	Br1	F5	89.483
F4	Br1	F6	169.098	F5	Br1	F6	89.483

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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