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	hartrees
Energy at 0K	-7187.288200
Energy at 298.15K
HF Energy	-7187.142208
Nuclear repulsion energy	428.304775

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	603	574	6.16	11.86	0.24	0.39
2	A₁	519	494	0.01	22.63	0.37	0.54
3	A₁	201	192	23.60	0.32	0.32	0.48
4	B₁	180	171	18.84	0.01	0.75	0.86
5	B₂	577	549	74.85	1.46	0.75	0.86
6	B₂	272	259	7.60	3.34	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.297
F2	0.000	-1.650
F3	1.959	-0.049
F4	-1.959	-0.049

	I1	F2	F3	F4
I1		1.9465	1.9892	1.9892
F2	1.9465		2.5293	2.5293
F3	1.9892	2.5293		3.9176
F4	1.9892	2.5293	3.9176

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	79.974		F2	I1	F4	79.974
F3	I1	F4	159.948

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)