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	hartrees
Energy at 0K	-3073.313001
Energy at 298.15K	-3073.317974
HF Energy	-3073.313001
Nuclear repulsion energy	624.054071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	630	608	44.58
2	A₁	540	521	7.03
3	A₁	334	322	37.68
4	B₁	292	282	0.00
5	B₂	502	485	0.00
6	B₂	210	203	0.00
7	E	618	597	318.94
7	E	618	597	318.94
8	E	379	366	3.36
8	E	379	366	3.36
9	E	227	220	0.48
9	E	227	220	0.48

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.272
F2	0.000	0.000	-1.473
F3	0.000	1.797	0.104
F4	-1.797	0.000	0.104
F5	0.000	-1.797	0.104
F6	1.797	0.000	0.104

	Br1	F2	F3	F4	F5	F6
Br1		1.7445	1.8044	1.8044	1.8044	1.8044
F2	1.7445		2.3901	2.3901	2.3901	2.3901
F3	1.8044	2.3901		2.5408	3.5932	2.5408
F4	1.8044	2.3901	2.5408		2.5408	3.5932
F5	1.8044	2.3901	3.5932	2.5408		2.5408
F6	1.8044	2.3901	2.5408	3.5932	2.5408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.655	F2	Br1	F4	84.655
F2	Br1	F5	84.655	F2	Br1	F6	84.655
F3	Br1	F4	89.503	F3	Br1	F5	169.309
F3	Br1	F6	89.503	F4	Br1	F5	89.503
F4	Br1	F6	169.309	F5	Br1	F6	89.503

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

using model chemistry: B3LYP/TZVP

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	1.261
2	F	-0.142
3	F	-0.280
4	F	-0.280
5	F	-0.280
6	F	-0.280

	x	y	z	Total
	0.000	0.000	1.569	1.569
CHELPG
AIM
ESP

<r²>	169.330
(<r²>)^1/2	13.013

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

using model chemistry: B3LYP/TZVP

States and conformations

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