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	hartrees
Energy at 0K	-2855.314217
Energy at 298.15K	-2855.317739
Nuclear repulsion energy	312.840782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	569	560	13.21
2	A₁	501	493	1.47
3	A₁	148	146	10.87
4	B₁	236	233	17.44
5	B₂	591	582	102.58
6	B₂	243	239	2.78

Atom	y (Å)	z (Å)
Br1	0.000	0.284
F2	0.000	-1.548
F3	1.880	0.222
F4	-1.880	0.222

	Br1	F2	F3	F4
Br1		1.8321	1.8808	1.8808
F2	1.8321		2.5823	2.5823
F3	1.8808	2.5823		3.7595
F4	1.8808	2.5823	3.7595

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.123		F2	Br1	F4	88.123
F3	Br1	F4	176.246

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

using model chemistry: LSDA/3-21G

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	0.948
2	F	-0.274
3	F	-0.337
4	F	-0.337

	x	y	z	Total
	0.000	0.000	1.540	1.540
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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