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	hartrees
Energy at 0K	-2873.587560
Energy at 298.15K	-2873.591100
Nuclear repulsion energy	311.443949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	563	561	27.78
2	A₁	488	487	3.91
3	A₁	165	164	10.85
4	B₁	228	228	16.15
5	B₂	580	578	187.85
6	B₂	264	263	2.36

Atom	y (Å)	z (Å)
Br1	0.000	0.279
F2	0.000	-1.554
F3	1.891	0.235
F4	-1.891	0.235

	Br1	F2	F3	F4
Br1		1.8327	1.8918	1.8918
F2	1.8327		2.6035	2.6035
F3	1.8918	2.6035		3.7825
F4	1.8918	2.6035	3.7825

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.683		F2	Br1	F4	88.683
F3	Br1	F4	177.367

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

using model chemistry: BLYP/6-311G*

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	1.004
2	F	-0.268
3	F	-0.368
4	F	-0.368

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-311G*

States and conformations

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