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	hartrees
Energy at 0K	-596.406700
Energy at 298.15K
HF Energy	-594.979266
Nuclear repulsion energy	232.579637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	677	677	49.69	13.15	0.14	0.25
2	A₁	575	575	0.47	22.57	0.38	0.55
3	A₁	201	201	16.42	0.26	0.39	0.57
4	B₁	205	205	16.45	0.02	0.75	0.86
5	B₂	599	599	267.65	0.75	0.75	0.86
6	B₂	314	314	5.66	2.01	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.256
F2	0.000	-1.599
F3	1.920	0.044
F4	-1.920	0.044

	I1	F2	F3	F4
I1		1.8549	1.9313	1.9313
F2	1.8549		2.5267	2.5267
F3	1.9313	2.5267		3.8393
F4	1.9313	2.5267	3.8393

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.696		F2	I1	F4	83.696
F3	I1	F4	167.393

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

using model chemistry: MP2=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: MP2=FULL/Def2TZVPP

States and conformations

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