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	hartrees
Energy at 0K	-7184.761284
Energy at 298.15K
HF Energy	-7184.352668
Nuclear repulsion energy	434.196453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	640	622	2.62
2	A₁	564	549	0.11
3	A₁	236	229	31.86
4	B₁	193	187	22.18
5	B₂	627	610	80.92
6	B₂	310	302	11.07

Atom	y (Å)	z (Å)
I1	0.000	0.301
F2	0.000	-1.625
F3	1.925	-0.075
F4	-1.925	-0.075

	I1	F2	F3	F4
I1		1.9261	1.9618	1.9618
F2	1.9261		2.4716	2.4716
F3	1.9618	2.4716		3.8508
F4	1.9618	2.4716	3.8508

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	I1	F3	78.939		F2	I1	F4	78.939
F3	I1	F4	157.879

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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