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	hartrees
Energy at 0K	-596.225822
Energy at 298.15K
HF Energy	-594.980485
Nuclear repulsion energy	234.083463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	700	700	51.37
2	A₁	591	591	0.23
3	A₁	216	216	18.13
4	B₁	210	210	17.25
5	B₂	611	611	286.61
6	B₂	328	328	6.84

Atom	y (Å)	z (Å)
I1	0.000	0.260
F2	0.000	-1.585
F3	1.907	0.028
F4	-1.907	0.028

	I1	F2	F3	F4
I1		1.8449	1.9208	1.9208
F2	1.8449		2.4973	2.4973
F3	1.9208	2.4973		3.8134
F4	1.9208	2.4973	3.8134

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.062		F2	I1	F4	83.062
F3	I1	F4	166.124

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

using model chemistry: CCSD/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: CCSD/Def2TZVPP

States and conformations

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