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	hartrees
Energy at 0K	-131.831650
Energy at 298.15K	-131.836794
Nuclear repulsion energy	167.068804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	656	598	21.69
2	A₁	574	524	3.28
3	A₁	360	328	86.02
4	B₁	285	261	0.00
5	B₂	574	524	0.00
6	B₂	222	202	0.00
7	E	702	641	313.07
7	E	702	641	313.07
8	E	370	337	10.84
8	E	370	337	10.84
9	E	216	197	1.35
9	E	216	197	1.35

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.309
F2	0.000	0.000	-1.513
F3	0.000	1.836	0.078
F4	-1.836	0.000	0.078
F5	0.000	-1.836	0.078
F6	1.836	0.000	0.078

	Br1	F2	F3	F4	F5	F6
Br1		1.8220	1.8502	1.8502	1.8502	1.8502
F2	1.8220		2.4290	2.4290	2.4290	2.4290
F3	1.8502	2.4290		2.5960	3.6714	2.5960
F4	1.8502	2.4290	2.5960		2.5960	3.6714
F5	1.8502	2.4290	3.6714	2.5960		2.5960
F6	1.8502	2.4290	2.5960	3.6714	2.5960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	82.818	F2	Br1	F4	82.818
F2	Br1	F5	82.818	F2	Br1	F6	82.818
F3	Br1	F4	89.104	F3	Br1	F5	165.636
F3	Br1	F6	89.104	F4	Br1	F5	89.104
F4	Br1	F6	165.636	F5	Br1	F6	89.104

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

using model chemistry: HF/CEP-121G

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	2.017
2	F	-0.258
3	F	-0.440
4	F	-0.440
5	F	-0.440
6	F	-0.440

	x	y	z	Total
	0.000	0.000	2.601	2.601
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/CEP-121G

States and conformations

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