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	hartrees
Energy at 0K	-3071.090493
Energy at 298.15K	-3071.096083
Nuclear repulsion energy	649.298697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	746	714	43.59
2	A₁	624	597	2.97
3	A₁	405	387	34.37
4	B₁	331	317	0.00
5	B₂	591	566	0.00
6	B₂	255	244	0.00
7	E	705	676	276.69
7	E	705	676	276.69
8	E	443	424	6.18
8	E	443	424	6.18
9	E	255	244	0.38
9	E	255	244	0.38

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.273
F2	0.000	0.000	-1.420
F3	0.000	1.737	0.089
F4	-1.737	0.000	0.089
F5	0.000	-1.737	0.089
F6	1.737	0.000	0.089

	Br1	F2	F3	F4	F5	F6
Br1		1.6930	1.7463	1.7463	1.7463	1.7463
F2	1.6930		2.3004	2.3004	2.3004	2.3004
F3	1.7463	2.3004		2.4559	3.4731	2.4559
F4	1.7463	2.3004	2.4559		2.4559	3.4731
F5	1.7463	2.3004	3.4731	2.4559		2.4559
F6	1.7463	2.3004	2.4559	3.4731	2.4559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	83.942	F2	Br1	F4	83.942
F2	Br1	F5	83.942	F2	Br1	F6	83.942
F3	Br1	F4	89.362	F3	Br1	F5	167.885
F3	Br1	F6	89.362	F4	Br1	F5	89.362
F4	Br1	F6	167.885	F5	Br1	F6	89.362

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

using model chemistry: B1B95/6-31G(2df,p)

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	1.420
2	F	-0.213
3	F	-0.302
4	F	-0.302
5	F	-0.302
6	F	-0.302

	x	y	z	Total
	0.000	0.000	1.198	1.198
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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