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	hartrees
Energy at 0K	-3070.615051
Energy at 298.15K	-3070.620153
Nuclear repulsion energy	627.497228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	673	647	40.52
2	A₁	588	565	3.88
3	A₁	346	332	31.08
4	B₁	293	281	0.00
5	B₂	559	537	0.00
6	B₂	211	203	0.00
7	E	668	641	262.12
7	E	668	641	262.12
8	E	379	365	4.17
8	E	379	365	4.17
9	E	226	217	0.67
9	E	226	217	0.67

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.269
F2	0.000	0.000	-1.481
F3	0.000	1.797	0.109
F4	-1.797	0.000	0.109
F5	0.000	-1.797	0.109
F6	1.797	0.000	0.109

	Br1	F2	F3	F4	F5	F6
Br1		1.7497	1.8046	1.8046	1.8046	1.8046
F2	1.7497		2.3998	2.3998	2.3998	2.3998
F3	1.8046	2.3998		2.5420	3.5949	2.5420
F4	1.8046	2.3998	2.5420		2.5420	3.5949
F5	1.8046	2.3998	3.5949	2.5420		2.5420
F6	1.8046	2.3998	2.5420	3.5949	2.5420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.922	F2	Br1	F4	84.922
F2	Br1	F5	84.922	F2	Br1	F6	84.922
F3	Br1	F4	89.551	F3	Br1	F5	169.845
F3	Br1	F6	89.551	F4	Br1	F5	89.551
F4	Br1	F6	169.845	F5	Br1	F6	89.551

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

using model chemistry: B3LYP/6-31G**

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	1.604
2	F	-0.275
3	F	-0.332
4	F	-0.332
5	F	-0.332
6	F	-0.332

	x	y	z	Total
	0.000	0.000	1.394	1.394
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**

States and conformations

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