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	hartrees
Energy at 0K	-594.016871
Energy at 298.15K
HF Energy	-592.955618
Nuclear repulsion energy	232.658357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	696	696	47.84
2	A₁	595	595	0.18
3	A₁	211	211	17.60
4	B₁	212	212	17.40
5	B₂	627	627	271.57
6	B₂	318	318	6.18

Atom	y (Å)	z (Å)
I1	0.000	0.261
F2	0.000	-1.599
F3	1.916	0.032
F4	-1.916	0.032

	I1	F2	F3	F4
I1		1.8603	1.9297	1.9297
F2	1.8603		2.5163	2.5163
F3	1.9297	2.5163		3.8321
F4	1.9297	2.5163	3.8321

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.178		F2	I1	F4	83.178
F3	I1	F4	166.355

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ-PP

States and conformations

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