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	hartrees
Energy at 0K	-2859.566552
Energy at 298.15K	-2859.570228
Nuclear repulsion energy	317.263333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	611	583	7.62
2	A₁	507	484	0.80
3	A₁	193	184	19.48
4	B₁	227	217	20.49
5	B₂	594	567	132.12
6	B₂	294	281	4.37

Atom	y (Å)	z (Å)
Br1	0.000	0.322
F2	0.000	-1.487
F3	1.855	0.116
F4	-1.855	0.116

	Br1	F2	F3	F4
Br1		1.8091	1.8666	1.8666
F2	1.8091		2.4518	2.4518
F3	1.8666	2.4518		3.7103
F4	1.8666	2.4518	3.7103

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	83.661		F2	Br1	F4	83.661
F3	Br1	F4	167.321

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

using model chemistry: mPW1PW91/3-21G

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	1.118
2	F	-0.307
3	F	-0.405
4	F	-0.405

	x	y	z	Total
	0.000	0.000	2.021	2.021
CHELPG
AIM
ESP

<r²>	106.723
(<r²>)^1/2	10.331

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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