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	hartrees
Energy at 0K	-84.385474
Energy at 298.15K	-84.389394
Nuclear repulsion energy	69.747973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	697	628	12.29
2	A₁	562	506	0.17
3	A₁	244	220	35.98
4	B₁	241	217	42.04
5	B₂	634	572	378.38
6	B₂	343	309	6.04

Atom	y (Å)	z (Å)
Br1	0.000	0.318
F2	0.000	-1.484
F3	1.877	0.124
F4	-1.877	0.124

	Br1	F2	F3	F4
Br1		1.8022	1.8873	1.8873
F2	1.8022		2.4723	2.4723
F3	1.8873	2.4723		3.7547
F4	1.8873	2.4723	3.7547

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	84.116		F2	Br1	F4	84.116
F3	Br1	F4	168.233

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

using model chemistry: HF/CEP-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	1.389
2	F	-0.309
3	F	-0.540
4	F	-0.540

	x	y	z	Total
	0.000	0.000	2.293	2.293
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-31G

States and conformations

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