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	hartrees
Energy at 0K	-596.036459
Energy at 298.15K
HF Energy	-594.981739
Nuclear repulsion energy	236.710403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	747	747	64.97
2	A₁	619	619	0.12
3	A₁	231	231	20.14
4	B₁	220	220	18.91
5	B₂	632	632	327.19
6	B₂	350	350	8.52

Atom	y (Å)	z (Å)
I1	0.000	0.259
F2	0.000	-1.563
F3	1.887	0.020
F4	-1.887	0.020

	I1	F2	F3	F4
I1		1.8222	1.9019	1.9019
F2	1.8222		2.4630	2.4630
F3	1.9019	2.4630		3.7736
F4	1.9019	2.4630	3.7736

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.777		F2	I1	F4	82.777
F3	I1	F4	165.553

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

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

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