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	hartrees
Energy at 0K	-2859.687752
Energy at 298.15K	-2859.691807
HF Energy	-2859.687752
Nuclear repulsion energy	328.076772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	747	707	20.27
2	A₁	626	593	0.64
3	A₁	249	236	17.47
4	B₁	243	230	16.21
5	B₂	731	693	205.99
6	B₂	358	339	6.16

Atom	y (Å)	z (Å)
Br1	0.000	0.303
F2	0.000	-1.449
F3	1.793	0.136
F4	-1.793	0.136

	Br1	F2	F3	F4
Br1		1.7513	1.8010	1.8010
F2	1.7513		2.3927	2.3927
F3	1.8010	2.3927		3.5864
F4	1.8010	2.3927	3.5864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	84.674		F2	Br1	F4	84.674
F3	Br1	F4	169.347

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

using model chemistry: M06-2X/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	0.955
2	F	-0.247
3	F	-0.354
4	F	-0.354

	x	y	z	Total
	0.000	0.000	1.629	1.629
CHELPG
AIM
ESP

<r²>	101.010
(<r²>)^1/2	10.050

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

using model chemistry: M06-2X/3-21G*

States and conformations

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