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	hartrees
Energy at 0K	-2871.180043
Energy at 298.15K	-2871.183956
Nuclear repulsion energy	323.551867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	659	39.09
2	A₁	563	535	3.26
3	A₁	232	220	14.77
4	B₁	255	242	16.43
5	B₂	627	597	345.22
6	B₂	333	317	3.56

Atom	y (Å)	z (Å)
Br1	0.000	0.284
F2	0.000	-1.465
F3	1.831	0.180
F4	-1.831	0.180

	Br1	F2	F3	F4
Br1		1.7498	1.8342	1.8342
F2	1.7498		2.4619	2.4619
F3	1.8342	2.4619		3.6624
F4	1.8342	2.4619	3.6624

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.741		F2	Br1	F4	86.741
F3	Br1	F4	173.482

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

using model chemistry: mPW1PW91/6-31+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	1.025
2	F	-0.254
3	F	-0.386
4	F	-0.386

	x	y	z	Total
	0.000	0.000	1.359	1.359
CHELPG
AIM
ESP

<r²>	104.750
(<r²>)^1/2	10.235

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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