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	hartrees
Energy at 0K	-3073.360512
Energy at 298.15K	-3073.365664
HF Energy	-3073.360512
Nuclear repulsion energy	633.289963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	675	649	48.47
2	A₁	568	547	5.92
3	A₁	353	340	36.30
4	B₁	306	294	0.00
5	B₂	528	508	0.00
6	B₂	219	211	0.00
7	E	636	612	333.81
7	E	636	612	333.81
8	E	401	386	3.49
8	E	401	386	3.49
9	E	233	224	0.30
9	E	233	224	0.30

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.257
F2	0.000	0.000	-1.472
F3	0.000	1.780	0.118
F4	-1.780	0.000	0.118
F5	0.000	-1.780	0.118
F6	1.780	0.000	0.118

	Br1	F2	F3	F4	F5	F6
Br1		1.7287	1.7857	1.7857	1.7857	1.7857
F2	1.7287		2.3866	2.3866	2.3866	2.3866
F3	1.7857	2.3866		2.5177	3.5605	2.5177
F4	1.7857	2.3866	2.5177		2.5177	3.5605
F5	1.7857	2.3866	3.5605	2.5177		2.5177
F6	1.7857	2.3866	2.5177	3.5605	2.5177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	85.531	F2	Br1	F4	85.531
F2	Br1	F5	85.531	F2	Br1	F6	85.531
F3	Br1	F4	89.652	F3	Br1	F5	171.062
F3	Br1	F6	89.652	F4	Br1	F5	89.652
F4	Br1	F6	171.062	F5	Br1	F6	89.652

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

using model chemistry: B3LYP/Def2TZVPP

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	1.220
2	F	-0.140
3	F	-0.270
4	F	-0.270
5	F	-0.270
6	F	-0.270

	x	y	z	Total
	0.000	0.000	1.423	1.423
CHELPG
AIM
ESP

<r²>	164.633
(<r²>)^1/2	12.831

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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