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	hartrees
Energy at 0K	-3070.717423
Energy at 298.15K	-3070.721887
Nuclear repulsion energy	605.883024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	586	583	45.10
2	A₁	518	516	11.45
3	A₁	264	262	21.55
4	B₁	259	257	0.00
5	B₂	477	474	0.00
6	B₂	166	166	0.00
7	E	599	596	284.17
7	E	599	596	284.17
8	E	318	316	1.74
8	E	318	316	1.74
9	E	200	199	0.55
9	E	200	199	0.55

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.244
F2	0.000	0.000	-1.555
F3	0.000	1.864	0.151
F4	-1.864	0.000	0.151
F5	0.000	-1.864	0.151
F6	1.864	0.000	0.151

	Br1	F2	F3	F4	F5	F6
Br1		1.7997	1.8658	1.8658	1.8658	1.8658
F2	1.7997		2.5269	2.5269	2.5269	2.5269
F3	1.8658	2.5269		2.6354	3.7270	2.6354
F4	1.8658	2.5269	2.6354		2.6354	3.7270
F5	1.8658	2.5269	3.7270	2.6354		2.6354
F6	1.8658	2.5269	2.6354	3.7270	2.6354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	87.141	F2	Br1	F4	87.141
F2	Br1	F5	87.141	F2	Br1	F6	87.141
F3	Br1	F4	89.857	F3	Br1	F5	174.282
F3	Br1	F6	89.857	F4	Br1	F5	89.857
F4	Br1	F6	174.282	F5	Br1	F6	89.857

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

using model chemistry: BLYP/6-31+G**

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	1.558
2	F	-0.268
3	F	-0.322
4	F	-0.322
5	F	-0.322
6	F	-0.322

	x	y	z	Total
	0.000	0.000	1.276	1.276
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31+G**

States and conformations

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