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	hartrees
Energy at 0K	-2873.445997
Energy at 298.15K	-2873.449846
Nuclear repulsion energy	321.256813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	649	625	30.33
2	A₁	544	524	2.81
3	A₁	224	215	15.80
4	B₁	247	238	18.50
5	B₂	631	608	252.92
6	B₂	324	312	4.20

Atom	y (Å)	z (Å)
Br1	0.000	0.291
F2	0.000	-1.483
F3	1.838	0.177
F4	-1.838	0.177

	Br1	F2	F3	F4
Br1		1.7735	1.8419	1.8419
F2	1.7735		2.4766	2.4766
F3	1.8419	2.4766		3.6768
F4	1.8419	2.4766	3.6768

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.451		F2	Br1	F4	86.451
F3	Br1	F4	172.901

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

using model chemistry: B3PW91/6-311G*

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	1.089
2	F	-0.275
3	F	-0.407
4	F	-0.407

	x	y	z	Total
	0.000	0.000	1.668	1.668
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-311G*

States and conformations

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