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	hartrees
Energy at 0K	-3057.736202
Energy at 298.15K	-3057.740709
Nuclear repulsion energy	617.642037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	606	582	24.91
2	A₁	527	507	1.86
3	A₁	296	285	45.40
4	B₁	247	238	0.00
5	B₂	506	486	0.00
6	B₂	164	158	0.00
7	E	636	611	157.30
7	E	636	611	157.30
8	E	316	303	6.93
8	E	316	303	6.93
9	E	179	172	3.08
9	E	179	172	3.08

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.294
F2	0.000	0.000	-1.496
F3	0.000	1.823	0.088
F4	-1.823	0.000	0.088
F5	0.000	-1.823	0.088
F6	1.823	0.000	0.088

	Br1	F2	F3	F4	F5	F6
Br1		1.7897	1.8344	1.8344	1.8344	1.8344
F2	1.7897		2.4145	2.4145	2.4145	2.4145
F3	1.8344	2.4145		2.5778	3.6456	2.5778
F4	1.8344	2.4145	2.5778		2.5778	3.6456
F5	1.8344	2.4145	3.6456	2.5778		2.5778
F6	1.8344	2.4145	2.5778	3.6456	2.5778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.540	F2	Br1	F4	83.540
F2	Br1	F5	83.540	F2	Br1	F6	83.540
F3	Br1	F4	89.275	F3	Br1	F5	167.080
F3	Br1	F6	89.275	F4	Br1	F5	89.275
F4	Br1	F6	167.080	F5	Br1	F6	89.275

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

using model chemistry: B3PW91/3-21G

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	1.802
2	F	-0.315
3	F	-0.372
4	F	-0.372
5	F	-0.372
6	F	-0.372

	x	y	z	Total
	0.000	0.000	2.429	2.429
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/3-21G

States and conformations

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