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	hartrees
Energy at 0K	-2859.665020
Energy at 298.15K	-2859.668966
Nuclear repulsion energy	324.132971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	688	660	20.49
2	A₁	594	570	1.22
3	A₁	224	214	11.87
4	B₁	257	246	14.34
5	B₂	709	680	183.72
6	B₂	322	309	4.09

Atom	y (Å)	z (Å)
Br1	0.000	0.289
F2	0.000	-1.485
F3	1.813	0.181
F4	-1.813	0.181

	Br1	F2	F3	F4
Br1		1.7737	1.8166	1.8166
F2	1.7737		2.4622	2.4622
F3	1.8166	2.4622		3.6267
F4	1.8166	2.4622	3.6267

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.588		F2	Br1	F4	86.588
F3	Br1	F4	173.176

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

using model chemistry: B3PW91/3-21G*

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	0.869
2	F	-0.228
3	F	-0.320
4	F	-0.320

	x	y	z	Total
	0.000	0.000	1.409	1.409
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/3-21G*

States and conformations

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