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	hartrees
Energy at 0K	-75.517215
Energy at 298.15K
HF Energy	-75.517215
Nuclear repulsion energy	89.446133

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	1107	1010	329.83	47.78	0.53	0.69
2	A₁	584	533	8.82	6.52	0.01	0.01
3	A₁	285	260	0.74	24.72	0.23	0.38
4	A₁	123	112	0.13	9.46	0.58	0.74
5	A₂	264	241	0.00	3.02	0.75	0.86
6	B₁	810	740	308.55	23.34	0.75	0.86
7	B₁	292	266	6.52	6.95	0.75	0.86
8	B₂	1146	1046	210.30	2.81	0.75	0.86
9	B₂	320	292	0.45	4.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.814
F2	0.000	1.102	1.653
F3	0.000	-1.102	1.653
I4	1.838	0.000	-0.327
I5	-1.838	0.000	-0.327

	C1	F2	F3	I4	I5
C1		1.3851	1.3851	2.1638	2.1638
F2	1.3851		2.2049	2.9180	2.9180
F3	1.3851	2.2049		2.9180	2.9180
I4	2.1638	2.9180	2.9180		3.6768
I5	2.1638	2.9180	2.9180	3.6768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	105.484	F2	C1	I4	108.621
F2	C1	I5	108.621	F3	C1	I4	108.621
F3	C1	I5	108.621	I4	C1	I5	116.338

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: HF/CEP-121G

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	-0.247
2	F	-0.217
3	F	-0.217
4	I	0.341
5	I	0.341

	x	y	z	Total
	0.000	0.000	-2.547	2.547
CHELPG
AIM
ESP

<r²>	142.023
(<r²>)^1/2	11.917

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)