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	hartrees
Energy at 0K	-7187.488034
Energy at 298.15K
HF Energy	-7187.317240
Nuclear repulsion energy	435.499296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	694	694	20.21	10.59	0.17	0.29
2	A₁	625	625	0.01	16.24	0.38	0.55
3	A₁	210	210	13.10	0.07	0.32	0.49
4	B₁	206	206	12.46	0.02	0.75	0.86
5	B₂	691	691	121.87	0.70	0.75	0.86
6	B₂	300	300	6.64	1.92	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.262
F2	0.000	-1.650
F3	1.937	0.052
F4	-1.937	0.052

	I1	F2	F3	F4
I1		1.9121	1.9479	1.9479
F2	1.9121		2.5781	2.5781
F3	1.9479	2.5781		3.8731
F4	1.9479	2.5781	3.8731

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	83.807		F2	I1	F4	83.807
F3	I1	F4	167.614

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

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