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	hartrees
Energy at 0K	-7184.727594
Energy at 298.15K
HF Energy	-7184.353998
Nuclear repulsion energy	437.032011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	678	631	6.38
2	A₁	589	548	0.15
3	A₁	242	226	34.36
4	B₁	198	185	24.03
5	B₂	648	603	101.58
6	B₂	321	299	11.95

Atom	y (Å)	z (Å)
I1	0.000	0.299
F2	0.000	-1.613
F3	1.914	-0.073
F4	-1.914	-0.073

	I1	F2	F3	F4
I1		1.9114	1.9500	1.9500
F2	1.9114		2.4571	2.4571
F3	1.9500	2.4571		3.8288
F4	1.9500	2.4571	3.8288

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	79.032		F2	I1	F4	79.032
F3	I1	F4	158.063

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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