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	hartrees
Energy at 0K	-593.808715
Energy at 298.15K
HF Energy	-592.956636
Nuclear repulsion energy	234.852503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	737	737	59.62
2	A₁	619	619	0.10
3	A₁	224	224	19.65
4	B₁	220	220	19.14
5	B₂	645	645	310.75
6	B₂	336	336	7.46

Atom	y (Å)	z (Å)
I1	0.000	0.261
F2	0.000	-1.580
F3	1.900	0.023
F4	-1.900	0.023

	I1	F2	F3	F4
I1		1.8404	1.9145	1.9145
F2	1.8404		2.4855	2.4855
F3	1.9145	2.4855		3.7993
F4	1.9145	2.4855	3.7993

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	82.871		F2	I1	F4	82.871
F3	I1	F4	165.741

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

using model chemistry: CID/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: CID/cc-pVTZ-PP

States and conformations

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