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	hartrees
Energy at 0K	-3070.423576
Energy at 298.15K	-3070.428764
Nuclear repulsion energy	630.989545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	689	661	42.81
2	A₁	599	575	3.63
3	A₁	354	339	31.60
4	B₁	298	286	0.00
5	B₂	571	547	0.00
6	B₂	216	207	0.00
7	E	679	651	268.78
7	E	679	651	268.78
8	E	388	372	4.42
8	E	388	372	4.42
9	E	230	221	0.63
9	E	230	221	0.63

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.268
F2	0.000	0.000	-1.472
F3	0.000	1.787	0.107
F4	-1.787	0.000	0.107
F5	0.000	-1.787	0.107
F6	1.787	0.000	0.107

	Br1	F2	F3	F4	F5	F6
Br1		1.7404	1.7947	1.7947	1.7947	1.7947
F2	1.7404		2.3851	2.3851	2.3851	2.3851
F3	1.7947	2.3851		2.5278	3.5749	2.5278
F4	1.7947	2.3851	2.5278		2.5278	3.5749
F5	1.7947	2.3851	3.5749	2.5278		2.5278
F6	1.7947	2.3851	2.5278	3.5749	2.5278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.844	F2	Br1	F4	84.844
F2	Br1	F5	84.844	F2	Br1	F6	84.844
F3	Br1	F4	89.537	F3	Br1	F5	169.688
F3	Br1	F6	89.537	F4	Br1	F5	89.537
F4	Br1	F6	169.688	F5	Br1	F6	89.537

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

using model chemistry: B3PW91/6-31G**

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	1.590
2	F	-0.273
3	F	-0.329
4	F	-0.329
5	F	-0.329
6	F	-0.329

	x	y	z	Total
	0.000	0.000	1.353	1.353
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31G**

States and conformations

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