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	hartrees
Energy at 0K	-3070.491932
Energy at 298.15K	-3070.497002
Nuclear repulsion energy	626.603530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	678	651	48.18
2	A₁	580	557	5.35
3	A₁	335	322	32.83
4	B₁	294	282	0.00
5	B₂	543	521	0.00
6	B₂	206	198	0.00
7	E	650	625	336.49
7	E	650	625	336.49
8	E	382	367	3.34
8	E	382	367	3.34
9	E	227	218	0.38
9	E	227	218	0.38

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.261
F2	0.000	0.000	-1.481
F3	0.000	1.803	0.117
F4	-1.803	0.000	0.117
F5	0.000	-1.803	0.117
F6	1.803	0.000	0.117

	Br1	F2	F3	F4	F5	F6
Br1		1.7416	1.8085	1.8085	1.8085	1.8085
F2	1.7416		2.4090	2.4090	2.4090	2.4090
F3	1.8085	2.4090		2.5495	3.6055	2.5495
F4	1.8085	2.4090	2.5495		2.5495	3.6055
F5	1.8085	2.4090	3.6055	2.5495		2.5495
F6	1.8085	2.4090	2.5495	3.6055	2.5495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.445	F2	Br1	F4	85.445
F2	Br1	F5	85.445	F2	Br1	F6	85.445
F3	Br1	F4	89.639	F3	Br1	F5	170.890
F3	Br1	F6	89.639	F4	Br1	F5	89.639
F4	Br1	F6	170.890	F5	Br1	F6	89.639

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

using model chemistry: B3PW91/6-31+G**

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	1.663
2	F	-0.297
3	F	-0.342
4	F	-0.342
5	F	-0.342
6	F	-0.342

	x	y	z	Total
	0.000	0.000	1.327	1.327
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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