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	hartrees
Energy at 0K	-2871.040406
Energy at 298.15K	-2871.044283
Nuclear repulsion energy	322.042125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	669	643	28.15
2	A₁	561	539	2.08
3	A₁	225	217	12.11
4	B₁	248	239	13.44
5	B₂	634	609	241.01
6	B₂	328	315	3.16

Atom	y (Å)	z (Å)
Br1	0.000	0.291
F2	0.000	-1.475
F3	1.836	0.171
F4	-1.836	0.171

	Br1	F2	F3	F4
Br1		1.7665	1.8395	1.8395
F2	1.7665		2.4659	2.4659
F3	1.8395	2.4659		3.6711
F4	1.8395	2.4659	3.6711

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.265		F2	Br1	F4	86.265
F3	Br1	F4	172.530

All results from a given calculation for BrF₃ (Bromine trifluoride)

using model chemistry: B3LYP/6-31G**

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	1.022
2	F	-0.276
3	F	-0.373
4	F	-0.373

	x	y	z	Total
	0.000	0.000	1.348	1.348
CHELPG
AIM
ESP

<r²>	104.471
(<r²>)^1/2	10.221

All results from a given calculation for BrF3 (Bromine trifluoride)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for BrF₃ (Bromine trifluoride)