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	hartrees
Energy at 0K	-2871.749334
Energy at 298.15K	-2871.753322
HF Energy	-2870.679032
Nuclear repulsion energy	328.657489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	705	672	40.27
2	A₁	562	535	2.08
3	A₁	251	239	14.22
4	B₁	250	238	14.36
5	B₂	626	596	331.70
6	B₂	367	350	4.32

Atom	y (Å)	z (Å)
Br1	0.000	0.286
F2	0.000	-1.436
F3	1.806	0.162
F4	-1.806	0.162

	Br1	F2	F3	F4
Br1		1.7216	1.8104	1.8104
F2	1.7216		2.4118	2.4118
F3	1.8104	2.4118		3.6124
F4	1.8104	2.4118	3.6124

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	86.094		F2	Br1	F4	86.094
F3	Br1	F4	172.188

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

using model chemistry: MP2/aug-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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All results from a given calculation for BrF3 (Bromine trifluoride)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

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