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	hartrees
Energy at 0K	-3069.506858
Energy at 298.15K	-3069.510647
Nuclear repulsion energy	585.278165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	511	504	20.65
2	A₁	458	452	5.62
3	A₁	215	212	27.76
4	B₁	204	201	0.00
5	B₂	439	433	0.00
6	B₂	145	143	0.00
7	E	573	565	121.71
7	E	573	565	121.71
8	E	260	256	4.12
8	E	260	256	4.12
9	E	140	138	3.50
9	E	140	138	3.50

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.303
F2	0.000	0.000	-1.598
F3	0.000	1.921	0.105
F4	-1.921	0.000	0.105
F5	0.000	-1.921	0.105
F6	1.921	0.000	0.105

	Br1	F2	F3	F4	F5	F6
Br1		1.9009	1.9306	1.9306	1.9306	1.9306
F2	1.9009		2.5673	2.5673	2.5673	2.5673
F3	1.9306	2.5673		2.7160	3.8411	2.7160
F4	1.9306	2.5673	2.7160		2.7160	3.8411
F5	1.9306	2.5673	3.8411	2.7160		2.7160
F6	1.9306	2.5673	2.7160	3.8411	2.7160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.135	F2	Br1	F4	84.135
F2	Br1	F5	84.135	F2	Br1	F6	84.135
F3	Br1	F4	89.402	F3	Br1	F5	168.270
F3	Br1	F6	89.402	F4	Br1	F5	89.402
F4	Br1	F6	168.270	F5	Br1	F6	89.402

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

using model chemistry: PBEPBE/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	1.604
2	F	-0.276
3	F	-0.332
4	F	-0.332
5	F	-0.332
6	F	-0.332

	x	y	z	Total
	0.000	0.000	2.416	2.416
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G

States and conformations

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