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	hartrees
Energy at 0K	-3066.942449
Energy at 298.15K	-3066.948646
Nuclear repulsion energy	667.282861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	848	768	56.39
2	A₁	692	627	1.15
3	A₁	491	444	59.68
4	B₁	391	354	0.00
5	B₂	671	608	0.00
6	B₂	308	279	0.00
7	E	763	691	368.38
7	E	763	691	368.38
8	E	524	475	15.27
8	E	524	475	15.27
9	E	299	270	0.23
9	E	299	270	0.23

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.273
F2	0.000	0.000	-1.377
F3	0.000	1.689	0.079
F4	-1.689	0.000	0.079
F5	0.000	-1.689	0.079
F6	1.689	0.000	0.079

	Br1	F2	F3	F4	F5	F6
Br1		1.6496	1.7002	1.7002	1.7002	1.7002
F2	1.6496		2.2295	2.2295	2.2295	2.2295
F3	1.7002	2.2295		2.3887	3.3781	2.3887
F4	1.7002	2.2295	2.3887		2.3887	3.3781
F5	1.7002	2.2295	3.3781	2.3887		2.3887
F6	1.7002	2.2295	2.3887	3.3781	2.3887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.440	F2	Br1	F4	83.440
F2	Br1	F5	83.440	F2	Br1	F6	83.440
F3	Br1	F4	89.252	F3	Br1	F5	166.880
F3	Br1	F6	89.252	F4	Br1	F5	89.252
F4	Br1	F6	166.880	F5	Br1	F6	89.252

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

using model chemistry: HF/6-31G(2df,p)

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	2.278
2	F	-0.377
3	F	-0.475
4	F	-0.475
5	F	-0.475
6	F	-0.475

	x	y	z	Total
	0.000	0.000	1.285	1.285
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/6-31G(2df,p)

States and conformations

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