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	hartrees
Energy at 0K	-3053.311097
Energy at 298.15K	-3053.316269
Nuclear repulsion energy	636.818025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	721	708	45.76
2	A₁	639	628	1.55
3	A₁	327	321	24.52
4	B₁	289	284	0.00
5	B₂	618	606	0.00
6	B₂	196	193	0.00
7	E	769	755	200.75
7	E	769	755	200.75
8	E	356	349	6.92
8	E	356	349	6.92
9	E	223	219	1.31
9	E	223	219	1.31

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.265
F2	0.000	0.000	-1.478
F3	0.000	1.766	0.112
F4	-1.766	0.000	0.112
F5	0.000	-1.766	0.112
F6	1.766	0.000	0.112

	Br1	F2	F3	F4	F5	F6
Br1		1.7427	1.7729	1.7729	1.7729	1.7729
F2	1.7427		2.3759	2.3759	2.3759	2.3759
F3	1.7729	2.3759		2.4978	3.5324	2.4978
F4	1.7729	2.3759	2.4978		2.4978	3.5324
F5	1.7729	2.3759	3.5324	2.4978		2.4978
F6	1.7729	2.3759	2.4978	3.5324	2.4978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.033	F2	Br1	F4	85.033
F2	Br1	F5	85.033	F2	Br1	F6	85.033
F3	Br1	F4	89.571	F3	Br1	F5	170.067
F3	Br1	F6	89.571	F4	Br1	F5	89.571
F4	Br1	F6	170.067	F5	Br1	F6	89.571

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

using model chemistry: LSDA/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	1.157
2	F	-0.195
3	F	-0.240
4	F	-0.240
5	F	-0.240
6	F	-0.240

	x	y	z	Total
	0.000	0.000	1.412	1.412
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/3-21G*

States and conformations

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