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	hartrees
Energy at 0K	-3052.903438
Energy at 298.15K	-3052.907592
Nuclear repulsion energy	615.410050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	595	585	30.14
2	A₁	524	515	1.33
3	A₁	233	230	29.78
4	B₁	225	221	0.00
5	B₂	500	492	0.00
6	B₂	128	126	0.00
7	E	633	623	136.02
7	E	633	623	136.02
8	E	271	266	5.73
8	E	271	266	5.73
9	E	162	159	2.41
9	E	162	159	2.41

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.279
F2	0.000	0.000	-1.513
F3	0.000	1.830	0.107
F4	-1.830	0.000	0.107
F5	0.000	-1.830	0.107
F6	1.830	0.000	0.107

	Br1	F2	F3	F4	F5	F6
Br1		1.7928	1.8386	1.8386	1.8386	1.8386
F2	1.7928		2.4445	2.4445	2.4445	2.4445
F3	1.8386	2.4445		2.5887	3.6610	2.5887
F4	1.8386	2.4445	2.5887		2.5887	3.6610
F5	1.8386	2.4445	3.6610	2.5887		2.5887
F6	1.8386	2.4445	2.5887	3.6610	2.5887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.612	F2	Br1	F4	84.612
F2	Br1	F5	84.612	F2	Br1	F6	84.612
F3	Br1	F4	89.495	F3	Br1	F5	169.224
F3	Br1	F6	89.495	F4	Br1	F5	89.495
F4	Br1	F6	169.224	F5	Br1	F6	89.495

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

using model chemistry: LSDA/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	1.586
2	F	-0.285
3	F	-0.325
4	F	-0.325
5	F	-0.325
6	F	-0.325

	x	y	z	Total
	0.000	0.000	2.083	2.083
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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