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	hartrees
Energy at 0K	-3070.563257
Energy at 298.15K	-3070.568193
HF Energy	-3070.563257
Nuclear repulsion energy	623.486143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	658	633	46.62
2	A₁	566	545	6.49
3	A₁	321	309	30.03
4	B₁	281	270	0.00
5	B₂	531	511	0.00
6	B₂	199	191	0.00
7	E	644	619	318.67
7	E	644	619	318.67
8	E	367	353	3.28
8	E	367	353	3.28
9	E	218	209	0.46
9	E	218	209	0.46

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.274
F2	0.000	0.000	-1.478
F3	0.000	1.800	0.103
F4	-1.800	0.000	0.103
F5	0.000	-1.800	0.103
F6	1.800	0.000	0.103

	Br1	F2	F3	F4	F5	F6
Br1		1.7525	1.8077	1.8077	1.8077	1.8077
F2	1.7525		2.3955	2.3955	2.3955	2.3955
F3	1.8077	2.3955		2.5449	3.5991	2.5449
F4	1.8077	2.3955	2.5449		2.5449	3.5991
F5	1.8077	2.3955	3.5991	2.5449		2.5449
F6	1.8077	2.3955	2.5449	3.5991	2.5449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.559	F2	Br1	F4	84.559
F2	Br1	F5	84.559	F2	Br1	F6	84.559
F3	Br1	F4	89.485	F3	Br1	F5	169.119
F3	Br1	F6	89.485	F4	Br1	F5	89.485
F4	Br1	F6	169.119	F5	Br1	F6	89.485

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

using model chemistry: TPSSh/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	1.585
2	F	-0.282
3	F	-0.326
4	F	-0.326
5	F	-0.326
6	F	-0.326

	x	y	z	Total
	0.000	0.000	1.334	1.334
CHELPG
AIM
ESP

<r²>	169.257
(<r²>)^1/2	13.010

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

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

States and conformations

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