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	hartrees
Energy at 0K	-3057.970361
Energy at 298.15K	-3057.974992
Nuclear repulsion energy	622.027552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	627	598	25.25
2	A₁	542	517	1.75
3	A₁	313	299	49.94
4	B₁	250	239	0.00
5	B₂	522	498	0.00
6	B₂	175	167	0.00
7	E	652	622	162.77
7	E	652	622	162.77
8	E	327	313	7.80
8	E	327	313	7.80
9	E	180	172	3.38
9	E	180	172	3.38

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.298
F2	0.000	0.000	-1.480
F3	0.000	1.809	0.080
F4	-1.809	0.000	0.080
F5	0.000	-1.809	0.080
F6	1.809	0.000	0.080

	Br1	F2	F3	F4	F5	F6
Br1		1.7785	1.8225	1.8225	1.8225	1.8225
F2	1.7785		2.3896	2.3896	2.3896	2.3896
F3	1.8225	2.3896		2.5589	3.6188	2.5589
F4	1.8225	2.3896	2.5589		2.5589	3.6188
F5	1.8225	2.3896	3.6188	2.5589		2.5589
F6	1.8225	2.3896	2.5589	3.6188	2.5589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.141	F2	Br1	F4	83.141
F2	Br1	F5	83.141	F2	Br1	F6	83.141
F3	Br1	F4	89.183	F3	Br1	F5	166.282
F3	Br1	F6	89.183	F4	Br1	F5	89.183
F4	Br1	F6	166.282	F5	Br1	F6	89.183

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

using model chemistry: mPW1PW91/3-21G

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	1.859
2	F	-0.326
3	F	-0.383
4	F	-0.383
5	F	-0.383
6	F	-0.383

	x	y	z	Total
	0.000	0.000	2.524	2.524
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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