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	hartrees
Energy at 0K	-2872.280155
Energy at 298.15K	-2872.283829
HF Energy	-2872.280155
Nuclear repulsion energy	315.859022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	607	597	39.59
2	A₁	508	500	6.40
3	A₁	188	185	10.68
4	B₁	243	239	14.87
5	B₂	585	575	287.29
6	B₂	288	283	1.85

Atom	y (Å)	z (Å)
Br1	0.000	0.271
F2	0.000	-1.522
F3	1.872	0.235
F4	-1.872	0.235

	Br1	F2	F3	F4
Br1		1.7930	1.8723	1.8723
F2	1.7930		2.5677	2.5677
F3	1.8723	2.5677		3.7440
F4	1.8723	2.5677	3.7440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.663		F2	Br1	F4	88.663
F3	Br1	F4	177.326

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

using model chemistry: B97D3/6-31+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	0.960
2	F	-0.243
3	F	-0.359
4	F	-0.359

	x	y	z	Total
	0.000	0.000	1.282	1.282
CHELPG
AIM
ESP

<r²>	109.144
(<r²>)^1/2	10.447

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

using model chemistry: B97D3/6-31+G**

States and conformations

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