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	hartrees
Energy at 0K	-594.064488
Energy at 298.15K
HF Energy	-592.953459
Nuclear repulsion energy	230.198903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	654	654
2	A₁	567	567
3	A₁	193	193
4	B₁	204	204
5	B₂	606	606
6	B₂	296	296

Atom	y (Å)	z (Å)
I1	0.000	0.259
F2	0.000	-1.621
F3	1.936	0.049
F4	-1.936	0.049

	I1	F2	F3	F4
I1		1.8801	1.9474	1.9474
F2	1.8801		2.5570	2.5570
F3	1.9474	2.5570		3.8722
F4	1.9474	2.5570	3.8722

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.817		F2	I1	F4	83.817
F3	I1	F4	167.633

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

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ-PP

States and conformations

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