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	hartrees
Energy at 0K	-593.997915
Energy at 298.15K
HF Energy	-592.953178
Nuclear repulsion energy	229.957621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	652	652
2	A₁	565	565
3	A₁	192	192
4	B₁	203	203
5	B₂	605	605
6	B₂	295	295

Atom	y (Å)	z (Å)
I1	0.000	0.259
F2	0.000	-1.623
F3	1.938	0.048
F4	-1.938	0.048

	I1	F2	F3	F4
I1		1.8820	1.9496	1.9496
F2	1.8820		2.5592	2.5592
F3	1.9496	2.5592		3.8763
F4	1.9496	2.5592	3.8763

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.795		F2	I1	F4	83.795
F3	I1	F4	167.590

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

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

States and conformations

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