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	hartrees
Energy at 0K	-3058.132185
Energy at 298.15K	-3058.137843
HF Energy	-3058.132185
Nuclear repulsion energy	642.891115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	780	739	42.78
2	A₁	674	639	0.74
3	A₁	406	384	49.84
4	B₁	324	307	0.00
5	B₂	657	623	0.00
6	B₂	241	228	0.00
7	E	797	755	233.21
7	E	797	755	233.21
8	E	422	399	12.24
8	E	422	399	12.24
9	E	254	241	1.99
9	E	254	241	1.99

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.286
F2	0.000	0.000	-1.447
F3	0.000	1.748	0.084
F4	-1.748	0.000	0.084
F5	0.000	-1.748	0.084
F6	1.748	0.000	0.084

	Br1	F2	F3	F4	F5	F6
Br1		1.7326	1.7593	1.7593	1.7593	1.7593
F2	1.7326		2.3232	2.3232	2.3232	2.3232
F3	1.7593	2.3232		2.4716	3.4954	2.4716
F4	1.7593	2.3232	2.4716		2.4716	3.4954
F5	1.7593	2.3232	3.4954	2.4716		2.4716
F6	1.7593	2.3232	2.4716	3.4954	2.4716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.408	F2	Br1	F4	83.408
F2	Br1	F5	83.408	F2	Br1	F6	83.408
F3	Br1	F4	89.245	F3	Br1	F5	166.817
F3	Br1	F6	89.245	F4	Br1	F5	89.245
F4	Br1	F6	166.817	F5	Br1	F6	89.245

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

using model chemistry: M06-2X/3-21G*

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	1.477
2	F	-0.249
3	F	-0.307
4	F	-0.307
5	F	-0.307
6	F	-0.307

	x	y	z	Total
	0.000	0.000	1.847	1.847
CHELPG
AIM
ESP

<r²>	159.026
(<r²>)^1/2	12.611

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

using model chemistry: M06-2X/3-21G*

States and conformations

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