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	hartrees
Energy at 0K	-593.988104
Energy at 298.15K
HF Energy	-592.954239
Nuclear repulsion energy	230.986642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	668	668
2	A₁	576	576
3	A₁	200	200
4	B₁	206	206
5	B₂	613	613
6	B₂	304	304

Atom	y (Å)	z (Å)
I1	0.000	0.261
F2	0.000	-1.614
F3	1.929	0.039
F4	-1.929	0.039

	I1	F2	F3	F4
I1		1.8744	1.9421	1.9421
F2	1.8744		2.5405	2.5405
F3	1.9421	2.5405		3.8588
F4	1.9421	2.5405	3.8588

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.448		F2	I1	F4	83.448
F3	I1	F4	166.897

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

using model chemistry: QCISD(T)/cc-pVTZ-PP

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: QCISD(T)/cc-pVTZ-PP

States and conformations

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