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	hartrees
Energy at 0K	-7184.955980
Energy at 298.15K
HF Energy	-7184.526827
Nuclear repulsion energy	439.592941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	742	690	21.88
2	A₁	661	616	0.00
3	A₁	236	219	18.50
4	B₁	219	204	15.61
5	B₂	724	674	151.45
6	B₂	329	306	9.02

Atom	y (Å)	z (Å)
I1	0.000	0.268
F2	0.000	-1.626
F3	1.917	0.024
F4	-1.917	0.024

	I1	F2	F3	F4
I1		1.8935	1.9327	1.9327
F2	1.8935		2.5293	2.5293
F3	1.9327	2.5293		3.8345
F4	1.9327	2.5293	3.8345

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.755		F2	I1	F4	82.755
F3	I1	F4	165.509

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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