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	hartrees
Energy at 0K	-7144.576262
Energy at 298.15K
HF Energy	-7144.469421
Nuclear repulsion energy	411.440440

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	508	443	0.17	2.50	0.52	0.68
2	A₁	461	402	8.50	11.46	0.22	0.36
3	A₁	245	214	9.67	0.23	0.64	0.78
4	B₁	165	144	2.82	0.01	0.75	0.86
5	B₂	538	469	18.94	0.23	0.75	0.86
6	B₂	312	272	3.74	4.08	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.371
F2	0.000	-1.691
F3	1.981	-0.247
F4	-1.981	-0.247

	I1	F2	F3	F4
I1		2.0622	2.0753	2.0753
F2	2.0622		2.4521	2.4521
F3	2.0753	2.4521		3.9626
F4	2.0753	2.4521	3.9626

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	72.689		F2	I1	F4	72.689
F3	I1	F4	145.379

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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