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	hartrees
Energy at 0K	-3065.718188
Energy at 298.15K	-3065.723097
Nuclear repulsion energy	626.348596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	671	661	53.47
2	A₁	582	573	7.80
3	A₁	304	299	24.93
4	B₁	277	273	0.00
5	B₂	542	534	0.00
6	B₂	191	188	0.00
7	E	658	648	313.46
7	E	658	648	313.46
8	E	358	353	3.26
8	E	358	353	3.26
9	E	214	211	0.67
9	E	214	211	0.67

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.254
F2	0.000	0.000	-1.489
F3	0.000	1.803	0.125
F4	-1.803	0.000	0.125
F5	0.000	-1.803	0.125
F6	1.803	0.000	0.125

	Br1	F2	F3	F4	F5	F6
Br1		1.7435	1.8076	1.8076	1.8076	1.8076
F2	1.7435		2.4200	2.4200	2.4200	2.4200
F3	1.8076	2.4200		2.5497	3.6059	2.5497
F4	1.8076	2.4200	2.5497		2.5497	3.6059
F5	1.8076	2.4200	3.6059	2.5497		2.5497
F6	1.8076	2.4200	2.5497	3.6059	2.5497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.899	F2	Br1	F4	85.899
F2	Br1	F5	85.899	F2	Br1	F6	85.899
F3	Br1	F4	89.707	F3	Br1	F5	171.797
F3	Br1	F6	89.707	F4	Br1	F5	89.707
F4	Br1	F6	171.797	F5	Br1	F6	89.707

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

using model chemistry: LSDA/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	1.471
2	F	-0.263
3	F	-0.302
4	F	-0.302
5	F	-0.302
6	F	-0.302

	x	y	z	Total
	0.000	0.000	1.288	1.288
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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