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	hartrees
Energy at 0K	-3072.377260
Energy at 298.15K	-3072.381909
Nuclear repulsion energy	613.816860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	602	597	43.16
2	A₁	535	530	7.45
3	A₁	291	288	26.30
4	B₁	262	260	0.00
5	B₂	499	495	0.00
6	B₂	182	180	0.00
7	E	634	628	232.13
7	E	634	628	232.13
8	E	327	324	4.42
8	E	327	324	4.42
9	E	201	199	1.14
9	E	201	199	1.14

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.260
F2	0.000	0.000	-1.533
F3	0.000	1.836	0.131
F4	-1.836	0.000	0.131
F5	0.000	-1.836	0.131
F6	1.836	0.000	0.131

	Br1	F2	F3	F4	F5	F6
Br1		1.7923	1.8407	1.8407	1.8407	1.8407
F2	1.7923		2.4776	2.4776	2.4776	2.4776
F3	1.8407	2.4776		2.5967	3.6723	2.5967
F4	1.8407	2.4776	2.5967		2.5967	3.6723
F5	1.8407	2.4776	3.6723	2.5967		2.5967
F6	1.8407	2.4776	2.5967	3.6723	2.5967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.986	F2	Br1	F4	85.986
F2	Br1	F5	85.986	F2	Br1	F6	85.986
F3	Br1	F4	89.719	F3	Br1	F5	171.971
F3	Br1	F6	89.719	F4	Br1	F5	89.719
F4	Br1	F6	171.971	F5	Br1	F6	89.719

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

using model chemistry: PBEPBE/6-311G**

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	1.500
2	F	-0.237
3	F	-0.316
4	F	-0.316
5	F	-0.316
6	F	-0.316

	x	y	z	Total
	0.000	0.000	1.573	1.573
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/6-311G**

States and conformations

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