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	hartrees
Energy at 0K	-833.104146
Energy at 298.15K
HF Energy	-833.104146
Nuclear repulsion energy	393.756536

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	1099	1099	288.62	22.93	0.31	0.48
2	A₁	614	614	5.55	4.30	0.01	0.02
3	A₁	278	278	0.07	14.33	0.13	0.23
4	A₁	112	112	0.13	3.39	0.41	0.58
5	A₂	251	251	0.00	0.54	0.75	0.86
6	B₁	744	744	347.56	10.45	0.75	0.86
7	B₁	278	278	0.03	3.79	0.75	0.86
8	B₂	1155	1155	149.87	0.84	0.75	0.86
9	B₂	313	313	0.16	0.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.867
F2	0.000	1.073	1.651
F3	0.000	-1.073	1.651
I4	1.797	0.000	-0.329
I5	-1.797	0.000	-0.329

	C1	F2	F3	I4	I5
C1		1.3294	1.3294	2.1590	2.1590
F2	1.3294		2.1463	2.8819	2.8819
F3	1.3294	2.1463		2.8819	2.8819
I4	2.1590	2.8819	2.8819		3.5948
I5	2.1590	2.8819	2.8819	3.5948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	107.656	F2	C1	I4	109.085
F2	C1	I5	109.085	F3	C1	I4	109.085
F3	C1	I5	109.085	I4	C1	I5	112.718

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: HSEh1PBE/Def2TZVPP

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.238
2	F	-0.113
3	F	-0.113
4	I	-0.005
5	I	-0.005

	x	y	z	Total
	0.000	0.000	-0.743	0.743
CHELPG
AIM
ESP

<r²>	283.747
(<r²>)^1/2	16.845

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)