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	hartrees
Energy at 0K	-309.759779
Energy at 298.15K
HF Energy	-309.320191
Nuclear repulsion energy	91.817846

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	560	541	12.69	15.62	0.16	0.28
2	A₁	499	481	0.22	50.29	0.39	0.56
3	A₁	171	165	27.51	0.37	0.31	0.48
4	B₁	183	176	32.06	0.06	0.75	0.86
5	B₂	552	533	137.45	0.66	0.75	0.86
6	B₂	261	252	6.83	5.31	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.281
F2	0.000	-1.712
F3	2.034	0.027
F4	-2.034	0.027

	I1	F2	F3	F4
I1		1.9936	2.0498	2.0498
F2	1.9936		2.6764	2.6764
F3	2.0498	2.6764		4.0681
F4	2.0498	2.6764	4.0681

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.880		F2	I1	F4	82.880
F3	I1	F4	165.759

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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