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	hartrees
Energy at 0K	-593.951647
Energy at 298.15K
HF Energy	-592.955462
Nuclear repulsion energy	232.440097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	694	662	47.15
2	A₁	593	566	0.18
3	A₁	210	201	17.58
4	B₁	211	201	17.34
5	B₂	626	597	270.31
6	B₂	317	302	6.16

Atom	y (Å)	z (Å)
I1	0.000	0.261
F2	0.000	-1.601
F3	1.918	0.031
F4	-1.918	0.031

	I1	F2	F3	F4
I1		1.8621	1.9316	1.9316
F2	1.8621		2.5180	2.5180
F3	1.9316	2.5180		3.8357
F4	1.9316	2.5180	3.8357

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.147		F2	I1	F4	83.147
F3	I1	F4	166.294

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

using model chemistry: CCSD/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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