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	hartrees
Energy at 0K	-2874.876936
Energy at 298.15K	-2874.880702
HF Energy	-2874.876936
Nuclear repulsion energy	320.901694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	623	614	39.19
2	A₁	515	508	4.16
3	A₁	204	202	10.57
4	B₁	246	243	13.86
5	B₂	592	584	261.25
6	B₂	316	311	1.73

Atom	y (Å)	z (Å)
Br1	0.000	0.276
F2	0.000	-1.489
F3	1.845	0.209
F4	-1.845	0.209

	Br1	F2	F3	F4
Br1		1.7645	1.8458	1.8458
F2	1.7645		2.5068	2.5068
F3	1.8458	2.5068		3.6891
F4	1.8458	2.5068	3.6891

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	88.346		F2	Br1	F4	88.346
F3	Br1	F4	176.691

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

using model chemistry: B97D3/cc-pVTZ

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	0.895
2	F	-0.215
3	F	-0.340
4	F	-0.340

	x	y	z	Total
	0.000	0.000	1.231	1.231
CHELPG
AIM
ESP

<r²>	105.699
(<r²>)^1/2	10.281

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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