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	hartrees
Energy at 0K	-596.406810
Energy at 298.15K
HF Energy	-594.979568
Nuclear repulsion energy	232.974945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	676	676
2	A₁	575	575
3	A₁	207	207
4	B₁	205	205
5	B₂	599	599
6	B₂	318	318

Atom	y (Å)	z (Å)
I1	0.000	0.260
F2	0.000	-1.594
F3	1.915	0.033
F4	-1.915	0.033

	I1	F2	F3	F4
I1		1.8541	1.9287	1.9287
F2	1.8541		2.5131	2.5131
F3	1.9287	2.5131		3.8307
F4	1.9287	2.5131	3.8307

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.239		F2	I1	F4	83.239
F3	I1	F4	166.478

All results from a given calculation for IF₃ (iodone trifluoride)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

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 IF3 (iodone trifluoride)

using model chemistry: CCSD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for IF₃ (iodone trifluoride)