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	hartrees
Energy at 0K	-3071.715089
Energy at 298.15K	-3071.719870
HF Energy	-3071.715089
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	622	610	41.22
2	A₁	554	543	6.36
3	A₁	306	300	22.19
4	B₁	278	273	0.00
5	B₂	520	510	0.00
6	B₂	191	187	0.00
7	E	638	626	236.89
7	E	638	626	236.89
8	E	347	340	2.58
8	E	347	340	2.58
9	E	213	209	0.61
9	E	213	209	0.61

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.256
F2	0.000	0.000	-1.516
F3	0.000	1.824	0.130
F4	-1.824	0.000	0.130
F5	0.000	-1.824	0.130
F6	1.824	0.000	0.130

	Br1	F2	F3	F4	F5	F6
Br1		1.7721	1.8280	1.8280	1.8280	1.8280
F2	1.7721		2.4566	2.4566	2.4566	2.4566
F3	1.8280	2.4566		2.5790	3.6472	2.5790
F4	1.8280	2.4566	2.5790		2.5790	3.6472
F5	1.8280	2.4566	3.6472	2.5790		2.5790
F6	1.8280	2.4566	2.5790	3.6472	2.5790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.756	F2	Br1	F4	85.756
F2	Br1	F5	85.756	F2	Br1	F6	85.756
F3	Br1	F4	89.686	F3	Br1	F5	171.513
F3	Br1	F6	89.686	F4	Br1	F5	89.686
F4	Br1	F6	171.513	F5	Br1	F6	89.686

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

using model chemistry: B97D3/6-31G*

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	1.485
2	F	-0.256
3	F	-0.307
4	F	-0.307
5	F	-0.307
6	F	-0.307

	x	y	z	Total
	0.000	0.000	1.256	1.256
CHELPG
AIM
ESP

<r²>	170.158
(<r²>)^1/2	13.044

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

using model chemistry: B97D3/6-31G*

States and conformations

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