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	hartrees
Energy at 0K	-14017.703328
Energy at 298.15K
HF Energy	-14017.703328
Nuclear repulsion energy	947.712583

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	1013	1007	210.06	7.30	0.55	0.71
2	A₁	534	531	7.90	3.44	0.01	0.02
3	A₁	244	243	0.39	15.87	0.14	0.24
4	A₁	100	99	0.10	5.34	0.41	0.58
5	A₂	216	214	0.00	0.96	0.75	0.86
6	B₁	643	639	390.62	5.34	0.75	0.86
7	B₁	246	244	0.62	4.81	0.75	0.86
8	B₂	1104	1097	88.21	1.35	0.75	0.86
9	B₂	268	266	0.02	1.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.892
F2	0.000	1.129	1.694
F3	0.000	-1.129	1.694
I4	1.867	0.000	-0.338
I5	-1.867	0.000	-0.338

	C1	F2	F3	I4	I5
C1		1.3841	1.3841	2.2357	2.2357
F2	1.3841		2.2573	2.9809	2.9809
F3	1.3841	2.2573		2.9809	2.9809
I4	2.2357	2.9809	2.9809		3.7332
I5	2.2357	2.9809	2.9809	3.7332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	109.259	F2	C1	I4	108.578
F2	C1	I5	108.578	F3	C1	I4	108.578
F3	C1	I5	108.578	I4	C1	I5	113.213

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: BLYP/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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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	0.255
2	F	-0.203
3	F	-0.203
4	I	0.076
5	I	0.076

	x	y	z	Total
	0.000	0.000	-0.536	0.536
CHELPG
AIM
ESP

<r²>	504.904
(<r²>)^1/2	22.470

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)