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	hartrees
Energy at 0K	-2872.220763
Energy at 298.15K	-2872.224490
HF Energy	-2872.220763
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	617	605	29.87
2	A₁	530	520	3.26
3	A₁	198	194	8.99
4	B₁	245	240	11.87
5	B₂	609	597	208.55
6	B₂	299	293	2.13

Atom	y (Å)	z (Å)
Br1	0.000	0.280
F2	0.000	-1.510
F3	1.857	0.211
F4	-1.857	0.211

	Br1	F2	F3	F4
Br1		1.7893	1.8584	1.8584
F2	1.7893		2.5320	2.5320
F3	1.8584	2.5320		3.7142
F4	1.8584	2.5320	3.7142

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.150		F2	Br1	F4	88.150
F3	Br1	F4	176.301

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

using model chemistry: B97D3/6-31G*

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	0.943
2	F	-0.261
3	F	-0.341
4	F	-0.341

	x	y	z	Total
	0.000	0.000	1.231	1.231
CHELPG
AIM
ESP

<r²>	106.665
(<r²>)^1/2	10.328

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

using model chemistry: B97D3/6-31G*

States and conformations

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