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	hartrees
Energy at 0K	-3057.903067
Energy at 298.15K	-3057.906891
Nuclear repulsion energy	592.625850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	505	502	25.18
2	A₁	468	465	1.76
3	A₁	203	202	23.90
4	B₁	222	221	0.00
5	B₂	438	436	0.00
6	B₂	120	120	0.00
7	E	567	564	116.91
7	E	567	564	116.91
8	E	253	252	4.60
8	E	253	252	4.60
9	E	165	164	1.77
9	E	165	164	1.77

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.263
F2	0.000	0.000	-1.599
F3	0.000	1.900	0.144
F4	-1.900	0.000	0.144
F5	0.000	-1.900	0.144
F6	1.900	0.000	0.144

	Br1	F2	F3	F4	F5	F6
Br1		1.8616	1.9038	1.9038	1.9038	1.9038
F2	1.8616		2.5787	2.5787	2.5787	2.5787
F3	1.9038	2.5787		2.6872	3.8002	2.6872
F4	1.9038	2.5787	2.6872		2.6872	3.8002
F5	1.9038	2.5787	3.8002	2.6872		2.6872
F6	1.9038	2.5787	2.6872	3.8002	2.6872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	86.440	F2	Br1	F4	86.440
F2	Br1	F5	86.440	F2	Br1	F6	86.440
F3	Br1	F4	89.779	F3	Br1	F5	172.880
F3	Br1	F6	89.779	F4	Br1	F5	89.779
F4	Br1	F6	172.880	F5	Br1	F6	89.779

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

using model chemistry: BLYP/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	1.494
2	F	-0.259
3	F	-0.309
4	F	-0.309
5	F	-0.309
6	F	-0.309

	x	y	z	Total
	0.000	0.000	1.862	1.862
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/3-21G

States and conformations

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