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	hartrees
Energy at 0K	-7184.765949
Energy at 298.15K
HF Energy	-7184.351432
Nuclear repulsion energy	431.979093

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	627	599	5.09	13.02	0.23	0.37
2	A₁	546	521	0.07	32.23	0.37	0.54
3	A₁	224	214	28.91	0.16	0.38	0.55
4	B₁	189	180	21.02	0.01	0.75	0.86
5	B₂	609	581	75.36	2.06	0.75	0.86
6	B₂	298	285	10.44	3.57	0.75	0.86

Atom	y (Å)	z (Å)
I1	0.000	0.299
F2	0.000	-1.634
F3	1.939	-0.063
F4	-1.939	-0.063

	I1	F2	F3	F4
I1		1.9330	1.9722	1.9722
F2	1.9330		2.4950	2.4950
F3	1.9722	2.4950		3.8772
F4	1.9722	2.4950	3.8772

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	79.413		F2	I1	F4	79.413
F3	I1	F4	158.826

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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