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	hartrees
Energy at 0K	-3068.367617
Energy at 298.15K	-3068.372780
Nuclear repulsion energy	637.836598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	687	680	52.16
2	A₁	587	581	7.26
3	A₁	340	337	29.32
4	B₁	295	292	0.00
5	B₂	550	544	0.00
6	B₂	214	212	0.00
7	E	670	663	297.22
7	E	670	663	297.22
8	E	388	384	4.15
8	E	388	384	4.15
9	E	228	225	0.68
9	E	228	225	0.68

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.263
F2	0.000	0.000	-1.454
F3	0.000	1.769	0.107
F4	-1.769	0.000	0.107
F5	0.000	-1.769	0.107
F6	1.769	0.000	0.107

	Br1	F2	F3	F4	F5	F6
Br1		1.7176	1.7762	1.7762	1.7762	1.7762
F2	1.7176		2.3598	2.3598	2.3598	2.3598
F3	1.7762	2.3598		2.5022	3.5387	2.5022
F4	1.7762	2.3598	2.5022		2.5022	3.5387
F5	1.7762	2.3598	3.5387	2.5022		2.5022
F6	1.7762	2.3598	2.5022	3.5387	2.5022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.957	F2	Br1	F4	84.957
F2	Br1	F5	84.957	F2	Br1	F6	84.957
F3	Br1	F4	89.557	F3	Br1	F5	169.913
F3	Br1	F6	89.557	F4	Br1	F5	89.557
F4	Br1	F6	169.913	F5	Br1	F6	89.557

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

using model chemistry: LSDA/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	1.157
2	F	-0.150
3	F	-0.252
4	F	-0.252
5	F	-0.252
6	F	-0.252

	x	y	z	Total
	0.000	0.000	1.341	1.341
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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