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	hartrees
Energy at 0K	-260.529433
Energy at 298.15K
HF Energy	-260.529433
Nuclear repulsion energy	132.872865

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	1011	1011	301.78	13.00	0.50	0.66
2	A₁	550	550	7.90	4.82	0.04	0.08
3	A₁	276	276	0.04	15.28	0.17	0.29
4	A₁	121	121	0.22	9.11	0.60	0.75
5	A₂	244	244	0.00	2.62	0.75	0.86
6	B₁	753	753	325.47	8.50	0.75	0.86
7	B₁	278	278	0.99	5.83	0.75	0.86
8	B₂	1037	1037	202.55	0.39	0.75	0.86
9	B₂	304	304	0.32	5.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.845
F2	0.000	1.117	1.684
F3	0.000	-1.117	1.684
I4	1.833	0.000	-0.334
I5	-1.833	0.000	-0.334

	C1	F2	F3	I4	I5
C1		1.3962	1.3962	2.1792	2.1792
F2	1.3962		2.2332	2.9454	2.9454
F3	1.3962	2.2332		2.9454	2.9454
I4	2.1792	2.9454	2.9454		3.6651
I5	2.1792	2.9454	2.9454	3.6651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	106.205	F2	C1	I4	108.959
F2	C1	I5	108.959	F3	C1	I4	108.959
F3	C1	I5	108.959	I4	C1	I5	114.477

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: wB97X-D/SDD

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	-0.138
2	F	-0.167
3	F	-0.167
4	I	0.236
5	I	0.236

	x	y	z	Total
	0.000	0.000	-1.928	1.928
CHELPG
AIM
ESP

<r²>	161.336
(<r²>)^1/2	12.702

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)