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	hartrees
Energy at 0K	-3073.411238
Energy at 298.15K	-3073.416645
Nuclear repulsion energy	641.645696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	713	684	51.90
2	A₁	599	575	4.57
3	A₁	380	365	39.62
4	B₁	319	306	0.00
5	B₂	563	540	0.00
6	B₂	236	226	0.00
7	E	672	645	334.46
7	E	672	645	334.46
8	E	422	405	5.15
8	E	422	405	5.15
9	E	244	234	0.39
9	E	244	234	0.39

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.268
F2	0.000	0.000	-1.439
F3	0.000	1.759	0.100
F4	-1.759	0.000	0.100
F5	0.000	-1.759	0.100
F6	1.759	0.000	0.100

	Br1	F2	F3	F4	F5	F6
Br1		1.7061	1.7672	1.7672	1.7672	1.7672
F2	1.7061		2.3368	2.3368	2.3368	2.3368
F3	1.7672	2.3368		2.4879	3.5184	2.4879
F4	1.7672	2.3368	2.4879		2.4879	3.5184
F5	1.7672	2.3368	3.5184	2.4879		2.4879
F6	1.7672	2.3368	2.4879	3.5184	2.4879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.545	F2	Br1	F4	84.545
F2	Br1	F5	84.545	F2	Br1	F6	84.545
F3	Br1	F4	89.482	F3	Br1	F5	169.090
F3	Br1	F6	89.482	F4	Br1	F5	89.482
F4	Br1	F6	169.090	F5	Br1	F6	89.482

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

using model chemistry: mPW1PW91/cc-pVTZ

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	1.325
2	F	-0.170
3	F	-0.289
4	F	-0.289
5	F	-0.289
6	F	-0.289

	x	y	z	Total
	0.000	0.000	1.387	1.387
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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