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	hartrees
Energy at 0K	-509.628462
Energy at 298.15K	-509.633656
Nuclear repulsion energy	252.560553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	673	605	24.41
2	A₁	590	531	2.03
3	A₁	374	337	94.31
4	B₁	297	267	0.00
5	B₂	592	533	0.00
6	B₂	231	208	0.00
7	E	682	614	314.80
7	E	682	614	314.80
8	E	392	353	13.75
8	E	392	353	13.75
9	E	219	197	1.68
9	E	219	197	1.68

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.309
F2	0.000	0.000	-1.493
F3	0.000	1.822	0.072
F4	-1.822	0.000	0.072
F5	0.000	-1.822	0.072
F6	1.822	0.000	0.072

	Br1	F2	F3	F4	F5	F6
Br1		1.8024	1.8370	1.8370	1.8370	1.8370
F2	1.8024		2.4017	2.4017	2.4017	2.4017
F3	1.8370	2.4017		2.5762	3.6433	2.5762
F4	1.8370	2.4017	2.5762		2.5762	3.6433
F5	1.8370	2.4017	3.6433	2.5762		2.5762
F6	1.8370	2.4017	2.5762	3.6433	2.5762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	82.583	F2	Br1	F4	82.583
F2	Br1	F5	82.583	F2	Br1	F6	82.583
F3	Br1	F4	89.045	F3	Br1	F5	165.166
F3	Br1	F6	89.045	F4	Br1	F5	89.045
F4	Br1	F6	165.166	F5	Br1	F6	89.045

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

using model chemistry: HF/LANL2DZ

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	2.194
2	F	-0.308
3	F	-0.472
4	F	-0.472
5	F	-0.472
6	F	-0.472

	x	y	z	Total
	0.000	0.000	2.985	2.985
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/LANL2DZ

States and conformations

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