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	hartrees
Energy at 0K	-596.264039
Energy at 298.15K
HF Energy	-594.979144
Nuclear repulsion energy	232.540722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	671	671
2	A₁	573	573
3	A₁	205	205
4	B₁	204	204
5	B₂	598	598
6	B₂	315	315

Atom	y (Å)	z (Å)
I1	0.000	0.260
F2	0.000	-1.598
F3	1.919	0.035
F4	-1.919	0.035

	I1	F2	F3	F4
I1		1.8580	1.9318	1.9318
F2	1.8580		2.5197	2.5197
F3	1.9318	2.5197		3.8373
F4	1.9318	2.5197	3.8373

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.323		F2	I1	F4	83.323
F3	I1	F4	166.646

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

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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