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	hartrees
Energy at 0K	-2870.823093
Energy at 298.15K	-2870.826636
Nuclear repulsion energy	307.572911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	575	553	10.16
2	A₁	477	459	1.47
3	A₁	188	181	18.50
4	B₁	201	194	21.15
5	B₂	567	546	145.35
6	B₂	278	267	3.64

Atom	y (Å)	z (Å)
Br1	0.000	0.328
F2	0.000	-1.535
F3	1.915	0.129
F4	-1.915	0.129

	Br1	F2	F3	F4
Br1		1.8632	1.9256	1.9256
F2	1.8632		2.5375	2.5375
F3	1.9256	2.5375		3.8306
F4	1.9256	2.5375	3.8306

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	84.076		F2	Br1	F4	84.076
F3	Br1	F4	168.152

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

using model chemistry: B3LYP/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	1.169
2	F	-0.318
3	F	-0.425
4	F	-0.425

	x	y	z	Total
	0.000	0.000	2.192	2.192
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31G

States and conformations

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