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	hartrees
Energy at 0K	-3072.543396
Energy at 298.15K	-3072.548308
Nuclear repulsion energy	625.044426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	637	632	48.33
2	A₁	548	545	7.94
3	A₁	318	316	26.28
4	B₁	285	283	0.00
5	B₂	508	505	0.00
6	B₂	199	198	0.00
7	E	630	626	281.34
7	E	630	626	281.34
8	E	365	363	2.57
8	E	365	363	2.57
9	E	219	217	0.52
9	E	219	217	0.52

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.259
F2	0.000	0.000	-1.490
F3	0.000	1.806	0.121
F4	-1.806	0.000	0.121
F5	0.000	-1.806	0.121
F6	1.806	0.000	0.121

	Br1	F2	F3	F4	F5	F6
Br1		1.7493	1.8116	1.8116	1.8116	1.8116
F2	1.7493		2.4203	2.4203	2.4203	2.4203
F3	1.8116	2.4203		2.5544	3.6125	2.5544
F4	1.8116	2.4203	2.5544		2.5544	3.6125
F5	1.8116	2.4203	3.6125	2.5544		2.5544
F6	1.8116	2.4203	2.5544	3.6125	2.5544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.620	F2	Br1	F4	85.620
F2	Br1	F5	85.620	F2	Br1	F6	85.620
F3	Br1	F4	89.666	F3	Br1	F5	171.241
F3	Br1	F6	89.666	F4	Br1	F5	89.666
F4	Br1	F6	171.241	F5	Br1	F6	89.666

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

using model chemistry: PBEPBE/cc-pVTZ

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	1.226
2	F	-0.163
3	F	-0.266
4	F	-0.266
5	F	-0.266
6	F	-0.266

	x	y	z	Total
	0.000	0.000	1.291	1.291
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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