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	hartrees
Energy at 0K	-3070.693836
Energy at 298.15K	-3070.698801
Nuclear repulsion energy	622.144094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	659	635	46.03
2	A₁	567	546	5.92
3	A₁	324	313	32.54
4	B₁	288	278	0.00
5	B₂	529	510	0.00
6	B₂	200	193	0.00
7	E	637	614	333.27
7	E	637	614	333.27
8	E	372	359	2.93
8	E	372	359	2.93
9	E	222	214	0.39
9	E	222	214	0.39

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.260
F2	0.000	0.000	-1.493
F3	0.000	1.816	0.121
F4	-1.816	0.000	0.121
F5	0.000	-1.816	0.121
F6	1.816	0.000	0.121

	Br1	F2	F3	F4	F5	F6
Br1		1.7528	1.8212	1.8212	1.8212	1.8212
F2	1.7528		2.4296	2.4296	2.4296	2.4296
F3	1.8212	2.4296		2.5681	3.6318	2.5681
F4	1.8212	2.4296	2.5681		2.5681	3.6318
F5	1.8212	2.4296	3.6318	2.5681		2.5681
F6	1.8212	2.4296	2.5681	3.6318	2.5681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.631	F2	Br1	F4	85.631
F2	Br1	F5	85.631	F2	Br1	F6	85.631
F3	Br1	F4	89.667	F3	Br1	F5	171.261
F3	Br1	F6	89.667	F4	Br1	F5	89.667
F4	Br1	F6	171.261	F5	Br1	F6	89.667

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

using model chemistry: B3LYP/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	1.712
2	F	-0.301
3	F	-0.353
4	F	-0.353
5	F	-0.353
6	F	-0.353

	x	y	z	Total
	0.000	0.000	1.379	1.379
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/6-31+G**

States and conformations

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