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	hartrees
Energy at 0K	-3072.295544
Energy at 298.15K	-3072.287873
HF Energy	-3072.785117
Nuclear repulsion energy	629.679539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	673	646	40.52
2	A₁	588	565	3.88
3	A₁	346	332	31.08
4	B₁	293	281	0.00
5	B₂	559	537	0.00
6	B₂	211	203	0.00
7	E	668	641	262.12
7	E	668	641	262.12
8	E	379	364	4.17
8	E	379	364	4.17
9	E	226	217	0.67
9	E	226	217	0.67

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.269
F2	0.000	0.000	-1.481
F3	0.000	1.797	0.109
F4	-1.797	0.000	0.109
F5	0.000	-1.797	0.109
F6	1.797	0.000	0.109

	Br1	F2	F3	F4	F5	F6
Br1		1.7497	1.8046	1.8046	1.8046	1.8046
F2	1.7497		2.3998	2.3998	2.3998	2.3998
F3	1.8046	2.3998		2.5420	3.5949	2.5420
F4	1.8046	2.3998	2.5420		2.5420	3.5949
F5	1.8046	2.3998	3.5949	2.5420		2.5420
F6	1.8046	2.3998	2.5420	3.5949	2.5420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	84.420	F2	Br1	F4	84.420
F2	Br1	F5	84.420	F2	Br1	F6	84.420
F3	Br1	F4	89.458	F3	Br1	F5	168.840
F3	Br1	F6	89.458	F4	Br1	F5	89.458
F4	Br1	F6	168.840	F5	Br1	F6	89.458

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

using model chemistry: G3B3

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	-0.275
3	F	-0.332
4	F	-0.332
5	F	-0.332
6	F	-0.332

	x	y	z	Total
	0.000	0.000	1.394	1.394
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: G3B3

States and conformations

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