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	hartrees
Energy at 0K	-3073.201353
Energy at 298.15K	-3073.206321
Nuclear repulsion energy	622.354948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	640	619	41.34
2	A₁	557	539	5.29
3	A₁	333	322	38.41
4	B₁	284	274	0.00
5	B₂	525	508	0.00
6	B₂	205	198	0.00
7	E	653	631	269.97
7	E	653	631	269.97
8	E	363	351	5.75
8	E	363	351	5.75
9	E	219	212	1.11
9	E	219	212	1.11

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.268
F2	0.000	0.000	-1.499
F3	0.000	1.812	0.114
F4	-1.812	0.000	0.114
F5	0.000	-1.812	0.114
F6	1.812	0.000	0.114

	Br1	F2	F3	F4	F5	F6
Br1		1.7666	1.8182	1.8182	1.8182	1.8182
F2	1.7666		2.4253	2.4253	2.4253	2.4253
F3	1.8182	2.4253		2.5620	3.6232	2.5620
F4	1.8182	2.4253	2.5620		2.5620	3.6232
F5	1.8182	2.4253	3.6232	2.5620		2.5620
F6	1.8182	2.4253	2.5620	3.6232	2.5620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.138	F2	Br1	F4	85.138
F2	Br1	F5	85.138	F2	Br1	F6	85.138
F3	Br1	F4	89.588	F3	Br1	F5	170.275
F3	Br1	F6	89.588	F4	Br1	F5	89.588
F4	Br1	F6	170.275	F5	Br1	F6	89.588

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

using model chemistry: B3LYP/6-311G**

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	1.662
2	F	-0.257
3	F	-0.351
4	F	-0.351
5	F	-0.351
6	F	-0.351

	x	y	z	Total
	0.000	0.000	1.729	1.729
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311G**

States and conformations

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