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	hartrees
Energy at 0K	-3069.879579
Energy at 298.15K	-3069.884237
Nuclear repulsion energy	613.447371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	618	611	48.36
2	A₁	541	535	9.53
3	A₁	285	281	22.62
4	B₁	267	264	0.00
5	B₂	500	494	0.00
6	B₂	179	177	0.00
7	E	620	613	294.80
7	E	620	613	294.80
8	E	336	332	2.18
8	E	336	332	2.18
9	E	206	204	0.50
9	E	206	204	0.50

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.250
F2	0.000	0.000	-1.528
F3	0.000	1.841	0.139
F4	-1.841	0.000	0.139
F5	0.000	-1.841	0.139
F6	1.841	0.000	0.139

	Br1	F2	F3	F4	F5	F6
Br1		1.7786	1.8442	1.8442	1.8442	1.8442
F2	1.7786		2.4837	2.4837	2.4837	2.4837
F3	1.8442	2.4837		2.6033	3.6816	2.6033
F4	1.8442	2.4837	2.6033		2.6033	3.6816
F5	1.8442	2.4837	3.6816	2.6033		2.6033
F6	1.8442	2.4837	2.6033	3.6816	2.6033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	86.544	F2	Br1	F4	86.544
F2	Br1	F5	86.544	F2	Br1	F6	86.544
F3	Br1	F4	89.792	F3	Br1	F5	173.089
F3	Br1	F6	89.792	F4	Br1	F5	89.792
F4	Br1	F6	173.089	F5	Br1	F6	89.792

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	Br	1.504
2	F	-0.265
3	F	-0.310
4	F	-0.310
5	F	-0.310
6	F	-0.310

	x	y	z	Total
	0.000	0.000	1.242	1.242
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/6-31+G**

States and conformations

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