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	hartrees
Energy at 0K	-596.230063
Energy at 298.15K
HF Energy	-594.980174
Nuclear repulsion energy	233.655278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	693	693	51.37
2	A₁	585	585	0.19
3	A₁	212	212	17.58
4	B₁	208	208	16.95
5	B₂	605	605	277.04
6	B₂	324	324	6.45

Atom	y (Å)	z (Å)
I1	0.000	0.259
F2	0.000	-1.588
F3	1.910	0.030
F4	-1.910	0.030

	I1	F2	F3	F4
I1		1.8476	1.9242	1.9242
F2	1.8476		2.5039	2.5039
F3	1.9242	2.5039		3.8210
F4	1.9242	2.5039	3.8210

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.160		F2	I1	F4	83.160
F3	I1	F4	166.321

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

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

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