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	hartrees
Energy at 0K	-3070.852893
Energy at 298.15K	-3070.858332
Nuclear repulsion energy	642.112299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	715	690	41.32
2	A₁	604	582	3.24
3	A₁	385	371	31.29
4	B₁	325	313	0.00
5	B₂	567	547	0.00
6	B₂	241	232	0.00
7	E	683	659	268.60
7	E	683	659	268.60
8	E	428	413	4.43
8	E	428	413	4.43
9	E	248	239	0.32
9	E	248	239	0.32

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.269
F2	0.000	0.000	-1.438
F3	0.000	1.757	0.098
F4	-1.757	0.000	0.098
F5	0.000	-1.757	0.098
F6	1.757	0.000	0.098

	Br1	F2	F3	F4	F5	F6
Br1		1.7078	1.7656	1.7656	1.7656	1.7656
F2	1.7078		2.3338	2.3338	2.3338	2.3338
F3	1.7656	2.3338		2.4850	3.5143	2.4850
F4	1.7656	2.3338	2.4850		2.4850	3.5143
F5	1.7656	2.3338	3.5143	2.4850		2.4850
F6	1.7656	2.3338	2.4850	3.5143	2.4850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.412	F2	Br1	F4	84.412
F2	Br1	F5	84.412	F2	Br1	F6	84.412
F3	Br1	F4	89.457	F3	Br1	F5	168.824
F3	Br1	F6	89.457	F4	Br1	F5	89.457
F4	Br1	F6	168.824	F5	Br1	F6	89.457

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

using model chemistry: B3LYP/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	1.394
2	F	-0.210
3	F	-0.296
4	F	-0.296
5	F	-0.296
6	F	-0.296

	x	y	z	Total
	0.000	0.000	1.175	1.175
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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