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	hartrees
Energy at 0K	-258.981718
Energy at 298.15K
HF Energy	-258.981718
Nuclear repulsion energy	134.015474

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	1101	990	334.59	50.23	0.51	0.68
2	A₁	582	524	9.13	7.48	0.00	0.00
3	A₁	280	252	0.60	24.95	0.18	0.30
4	A₁	124	112	0.11	10.08	0.56	0.72
5	A₂	262	236	0.00	2.51	0.75	0.86
6	B₁	803	722	298.16	25.11	0.75	0.86
7	B₁	289	260	4.88	6.15	0.75	0.86
8	B₂	1146	1031	225.41	2.54	0.75	0.86
9	B₂	319	287	0.60	5.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.825
F2	0.000	1.102	1.662
F3	0.000	-1.102	1.662
I4	1.832	0.000	-0.329
I5	-1.832	0.000	-0.329

	C1	F2	F3	I4	I5
C1		1.3835	1.3835	2.1652	2.1652
F2	1.3835		2.2036	2.9213	2.9213
F3	1.3835	2.2036		2.9213	2.9213
I4	2.1652	2.9213	2.9213		3.6638
I5	2.1652	2.9213	2.9213	3.6638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	105.568	F2	C1	I4	108.810
F2	C1	I5	108.810	F3	C1	I4	108.810
F3	C1	I5	108.810	I4	C1	I5	115.568

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: HF/LANL2DZ

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	-0.000
2	F	-0.274
3	F	-0.274
4	I	0.274
5	I	0.274

	x	y	z	Total
	0.000	0.000	-2.439	2.439
CHELPG
AIM
ESP

<r²>	159.623
(<r²>)^1/2	12.634

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)