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	hartrees
Energy at 0K	-3069.915493
Energy at 298.15K	-3069.920634
HF Energy	-3069.915493
Nuclear repulsion energy	629.186111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	692	660	49.19
2	A₁	589	562	4.51
3	A₁	344	328	34.65
4	B₁	298	284	0.00
5	B₂	553	528	0.00
6	B₂	212	203	0.00
7	E	657	628	344.74
7	E	657	628	344.74
8	E	390	373	3.76
8	E	390	373	3.76
9	E	229	219	0.36
9	E	229	219	0.36

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.272
F2	0.000	0.000	-1.469
F3	0.000	1.791	0.103
F4	-1.791	0.000	0.103
F5	0.000	-1.791	0.103
F6	1.791	0.000	0.103

	Br1	F2	F3	F4	F5	F6
Br1		1.7407	1.7990	1.7990	1.7990	1.7990
F2	1.7407		2.3829	2.3829	2.3829	2.3829
F3	1.7990	2.3829		2.5329	3.5820	2.5329
F4	1.7990	2.3829	2.5329		2.5329	3.5820
F5	1.7990	2.3829	3.5820	2.5329		2.5329
F6	1.7990	2.3829	2.5329	3.5820	2.5329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.615	F2	Br1	F4	84.615
F2	Br1	F5	84.615	F2	Br1	F6	84.615
F3	Br1	F4	89.495	F3	Br1	F5	169.230
F3	Br1	F6	89.495	F4	Br1	F5	89.495
F4	Br1	F6	169.230	F5	Br1	F6	89.495

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

using model chemistry: HSEh1PBE/6-31+G**

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	1.694
2	F	-0.305
3	F	-0.347
4	F	-0.347
5	F	-0.347
6	F	-0.347

	x	y	z	Total
	0.000	0.000	1.349	1.349
CHELPG
AIM
ESP

<r²>	166.725
(<r²>)^1/2	12.912

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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