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	hartrees
Energy at 0K	-2870.446974
Energy at 298.15K	-2870.450661
Nuclear repulsion energy	315.947126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	614	607	39.31
2	A₁	517	511	6.24
3	A₁	190	187	10.49
4	B₁	241	238	14.06
5	B₂	595	588	282.42
6	B₂	286	283	2.19

Atom	y (Å)	z (Å)
Br1	0.000	0.276
F2	0.000	-1.520
F3	1.871	0.224
F4	-1.871	0.224

	Br1	F2	F3	F4
Br1		1.7959	1.8713	1.8713
F2	1.7959		2.5575	2.5575
F3	1.8713	2.5575		3.7412
F4	1.8713	2.5575	3.7412

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.413		F2	Br1	F4	88.413
F3	Br1	F4	176.825

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

using model chemistry: PBEPBE/6-31+G**

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	0.926
2	F	-0.235
3	F	-0.345
4	F	-0.345

	x	y	z	Total
	0.000	0.000	1.298	1.298
CHELPG
AIM
ESP

<r²>	109.157
(<r²>)^1/2	10.448

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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