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	hartrees
Energy at 0K	-2870.514466
Energy at 298.15K	-2870.518634
Nuclear repulsion energy	331.364840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	767	693	37.06
2	A₁	615	556	0.53
3	A₁	289	261	26.87
4	B₁	280	253	27.68
5	B₂	660	597	414.89
6	B₂	398	360	9.24

Atom	y (Å)	z (Å)
Br1	0.000	0.292
F2	0.000	-1.415
F3	1.790	0.139
F4	-1.790	0.139

	Br1	F2	F3	F4
Br1		1.7074	1.7963	1.7963
F2	1.7074		2.3701	2.3701
F3	1.7963	2.3701		3.5795
F4	1.7963	2.3701	3.5795

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.095		F2	Br1	F4	85.095
F3	Br1	F4	170.191

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

using model chemistry: HF/6-311G*

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	1.352
2	F	-0.320
3	F	-0.516
4	F	-0.516

	x	y	z	Total
	0.000	0.000	1.828	1.828
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311G*

States and conformations

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