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	hartrees
Energy at 0K	-3070.316633
Energy at 298.15K	-3070.320913
Nuclear repulsion energy	596.823365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	558	537	16.15
2	A₁	486	467	5.13
3	A₁	275	265	43.54
4	B₁	229	220	0.00
5	B₂	474	456	0.00
6	B₂	177	171	0.00
7	E	606	583	150.96
7	E	606	583	150.96
8	E	310	298	5.81
8	E	310	298	5.81
9	E	163	157	4.10
9	E	163	157	4.10

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.319
F2	0.000	0.000	-1.549
F3	0.000	1.882	0.077
F4	-1.882	0.000	0.077
F5	0.000	-1.882	0.077
F6	1.882	0.000	0.077

	Br1	F2	F3	F4	F5	F6
Br1		1.8675	1.8973	1.8973	1.8973	1.8973
F2	1.8675		2.4870	2.4870	2.4870	2.4870
F3	1.8973	2.4870		2.6614	3.7637	2.6614
F4	1.8973	2.4870	2.6614		2.6614	3.7637
F5	1.8973	2.4870	3.7637	2.6614		2.6614
F6	1.8973	2.4870	2.6614	3.7637	2.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	82.684	F2	Br1	F4	82.684
F2	Br1	F5	82.684	F2	Br1	F6	82.684
F3	Br1	F4	89.071	F3	Br1	F5	165.369
F3	Br1	F6	89.071	F4	Br1	F5	89.071
F4	Br1	F6	165.369	F5	Br1	F6	89.071

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

using model chemistry: B3LYP/6-31G

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	1.817
2	F	-0.302
3	F	-0.379
4	F	-0.379
5	F	-0.379
6	F	-0.379

	x	y	z	Total
	0.000	0.000	2.755	2.755
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/6-31G

States and conformations

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