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	hartrees
Energy at 0K	-3058.541662
Energy at 298.15K	-3058.547026
Nuclear repulsion energy	638.820578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	737	703	42.88
2	A₁	645	616	1.49
3	A₁	368	351	36.62
4	B₁	303	289	0.00
5	B₂	626	598	0.00
6	B₂	219	209	0.00
7	E	771	737	221.44
7	E	771	737	221.44
8	E	379	362	9.22
8	E	379	362	9.22
9	E	235	224	1.50
9	E	235	224	1.50

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.276
F2	0.000	0.000	-1.463
F3	0.000	1.760	0.097
F4	-1.760	0.000	0.097
F5	0.000	-1.760	0.097
F6	1.760	0.000	0.097

	Br1	F2	F3	F4	F5	F6
Br1		1.7389	1.7694	1.7694	1.7694	1.7694
F2	1.7389		2.3519	2.3519	2.3519	2.3519
F3	1.7694	2.3519		2.4894	3.5205	2.4894
F4	1.7694	2.3519	2.4894		2.4894	3.5205
F5	1.7694	2.3519	3.5205	2.4894		2.4894
F6	1.7694	2.3519	2.4894	3.5205	2.4894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.187	F2	Br1	F4	84.187
F2	Br1	F5	84.187	F2	Br1	F6	84.187
F3	Br1	F4	89.412	F3	Br1	F5	168.373
F3	Br1	F6	89.412	F4	Br1	F5	89.412
F4	Br1	F6	168.373	F5	Br1	F6	89.412

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

using model chemistry: B1B95/3-21G*

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	1.367
2	F	-0.227
3	F	-0.285
4	F	-0.285
5	F	-0.285
6	F	-0.285

	x	y	z	Total
	0.000	0.000	1.660	1.660
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/3-21G*

States and conformations

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