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	hartrees
Energy at 0K	-3070.027314
Energy at 298.15K	-3070.032497
Nuclear repulsion energy	634.302044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	678	671	40.27
2	A₁	579	573	4.71
3	A₁	351	347	22.72
4	B₁	305	302	0.00
5	B₂	540	535	0.00
6	B₂	221	218	0.00
7	E	665	658	238.95
7	E	665	658	238.95
8	E	397	392	3.00
8	E	397	392	3.00
9	E	232	230	0.33
9	E	232	230	0.33

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.266
F2	0.000	0.000	-1.463
F3	0.000	1.779	0.107
F4	-1.779	0.000	0.107
F5	0.000	-1.779	0.107
F6	1.779	0.000	0.107

	Br1	F2	F3	F4	F5	F6
Br1		1.7283	1.7859	1.7859	1.7859	1.7859
F2	1.7283		2.3728	2.3728	2.3728	2.3728
F3	1.7859	2.3728		2.5157	3.5578	2.5157
F4	1.7859	2.3728	2.5157		2.5157	3.5578
F5	1.7859	2.3728	3.5578	2.5157		2.5157
F6	1.7859	2.3728	2.5157	3.5578	2.5157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.921	F2	Br1	F4	84.921
F2	Br1	F5	84.921	F2	Br1	F6	84.921
F3	Br1	F4	89.551	F3	Br1	F5	169.843
F3	Br1	F6	89.551	F4	Br1	F5	89.551
F4	Br1	F6	169.843	F5	Br1	F6	89.551

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

using model chemistry: PBEPBE/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	1.195
2	F	-0.179
3	F	-0.254
4	F	-0.254
5	F	-0.254
6	F	-0.254

	x	y	z	Total
	0.000	0.000	1.045	1.045
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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