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	hartrees
Energy at 0K	-3068.139214
Energy at 298.15K	-3068.144207
Nuclear repulsion energy	627.937430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	675	667	45.77
2	A₁	581	574	9.50
3	A₁	317	313	24.76
4	B₁	277	273	0.00
5	B₂	546	539	0.00
6	B₂	201	199	0.00
7	E	673	665	294.69
7	E	673	665	294.69
8	E	360	356	3.66
8	E	360	356	3.66
9	E	215	213	0.57
9	E	215	213	0.57

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.264
F2	0.000	0.000	-1.485
F3	0.000	1.796	0.115
F4	-1.796	0.000	0.115
F5	0.000	-1.796	0.115
F6	1.796	0.000	0.115

	Br1	F2	F3	F4	F5	F6
Br1		1.7482	1.8024	1.8024	1.8024	1.8024
F2	1.7482		2.4051	2.4051	2.4051	2.4051
F3	1.8024	2.4051		2.5402	3.5924	2.5402
F4	1.8024	2.4051	2.5402		2.5402	3.5924
F5	1.8024	2.4051	3.5924	2.5402		2.5402
F6	1.8024	2.4051	2.5402	3.5924	2.5402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.266	F2	Br1	F4	85.266
F2	Br1	F5	85.266	F2	Br1	F6	85.266
F3	Br1	F4	89.610	F3	Br1	F5	170.533
F3	Br1	F6	89.610	F4	Br1	F5	89.610
F4	Br1	F6	170.533	F5	Br1	F6	89.610

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

using model chemistry: LSDA/aug-cc-pVDZ

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	2.040
2	F	-0.361
3	F	-0.420
4	F	-0.420
5	F	-0.420
6	F	-0.420

	x	y	z	Total
	0.000	0.000	1.371	1.371
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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