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	hartrees
Energy at 0K	-7184.960593
Energy at 298.15K
HF Energy	-7184.526717
Nuclear repulsion energy	439.245185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	739	691	21.90
2	A₁	659	616	0.00
3	A₁	234	219	18.08
4	B₁	219	204	15.35
5	B₂	722	674	149.24
6	B₂	328	306	8.90

Atom	y (Å)	z (Å)
I1	0.000	0.268
F2	0.000	-1.627
F3	1.919	0.026
F4	-1.919	0.026

	I1	F2	F3	F4
I1		1.8948	1.9341	1.9341
F2	1.8948		2.5328	2.5328
F3	1.9341	2.5328		3.8379
F4	1.9341	2.5328	3.8379

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.821		F2	I1	F4	82.821
F3	I1	F4	165.643

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

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

States and conformations

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