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	hartrees
Energy at 0K	-3057.462309
Energy at 298.15K	-3057.467233
Nuclear repulsion energy	623.848064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	662	631	41.45
2	A₁	593	566	1.83
3	A₁	304	290	22.26
4	B₁	281	268	0.00
5	B₂	568	542	0.00
6	B₂	182	173	0.00
7	E	717	683	187.26
7	E	717	683	187.26
8	E	336	321	5.75
8	E	336	321	5.75
9	E	216	206	1.19
9	E	216	206	1.19

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.262
F2	0.000	0.000	-1.516
F3	0.000	1.803	0.124
F4	-1.803	0.000	0.124
F5	0.000	-1.803	0.124
F6	1.803	0.000	0.124

	Br1	F2	F3	F4	F5	F6
Br1		1.7781	1.8082	1.8082	1.8082	1.8082
F2	1.7781		2.4378	2.4378	2.4378	2.4378
F3	1.8082	2.4378		2.5497	3.6059	2.5497
F4	1.8082	2.4378	2.5497		2.5497	3.6059
F5	1.8082	2.4378	3.6059	2.5497		2.5497
F6	1.8082	2.4378	2.5497	3.6059	2.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.643	F2	Br1	F4	85.643
F2	Br1	F5	85.643	F2	Br1	F6	85.643
F3	Br1	F4	89.669	F3	Br1	F5	171.286
F3	Br1	F6	89.669	F4	Br1	F5	89.669
F4	Br1	F6	171.286	F5	Br1	F6	89.669

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

using model chemistry: PBEPBE/3-21G*

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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Number	Element	Mulliken
1	Br	1.204
2	F	-0.202
3	F	-0.251
4	F	-0.251
5	F	-0.251
6	F	-0.251

	x	y	z	Total
	0.000	0.000	1.412	1.412
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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