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	hartrees
Energy at 0K	-596.033176
Energy at 298.15K
HF Energy	-594.981755
Nuclear repulsion energy	236.792465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	748	748	65.29
2	A₁	620	620	0.11
3	A₁	231	231	20.25
4	B₁	220	220	19.01
5	B₂	633	633	328.77
6	B₂	351	351	8.58

Atom	y (Å)	z (Å)
I1	0.000	0.259
F2	0.000	-1.563
F3	1.886	0.019
F4	-1.886	0.019

	I1	F2	F3	F4
I1		1.8216	1.9013	1.9013
F2	1.8216		2.4618	2.4618
F3	1.9013	2.4618		3.7724
F4	1.9013	2.4618	3.7724

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.762		F2	I1	F4	82.762
F3	I1	F4	165.524

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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