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	hartrees
Energy at 0K	-2856.917842
Energy at 298.15K	-2856.921633
HF Energy	-2856.486507
Nuclear repulsion energy	318.815981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	591	574	0.51
2	A₁	503	489	0.04
3	A₁	251	244	25.94
4	B₁	225	219	22.70
5	B₂	604	588	112.18
6	B₂	332	323	7.33

Atom	y (Å)	z (Å)
Br1	0.000	0.340
F2	0.000	-1.467
F3	1.841	0.072
F4	-1.841	0.072

	Br1	F2	F3	F4
Br1		1.8076	1.8601	1.8601
F2	1.8076		2.3993	2.3993
F3	1.8601	2.3993		3.6813
F4	1.8601	2.3993	3.6813

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	81.702		F2	Br1	F4	81.702
F3	Br1	F4	163.403

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

using model chemistry: CCD/3-21G

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

using model chemistry: CCD/3-21G

States and conformations

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