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	hartrees
Energy at 0K	-7185.030070
Energy at 298.15K
HF Energy	-7184.525472
Nuclear repulsion energy	436.384027

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	710	673	19.15	11.27	0.16	0.28
2	A₁	641	607	0.02	18.36	0.39	0.56
3	A₁	224	212	15.09	0.03	0.40	0.57
4	B₁	212	201	13.08	0.02	0.75	0.86
5	B₂	708	671	129.75	0.98	0.75	0.86
6	B₂	316	300	8.20	2.09	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.266
F2	0.000	-1.643
F3	1.932	0.040
F4	-1.932	0.040

	I1	F2	F3	F4
I1		1.9089	1.9447	1.9447
F2	1.9089		2.5621	2.5621
F3	1.9447	2.5621		3.8631
F4	1.9447	2.5621	3.8631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.339		F2	I1	F4	83.339
F3	I1	F4	166.678

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

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

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