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	hartrees
Energy at 0K	-13934.859122
Energy at 298.15K
HF Energy	-13934.859122
Nuclear repulsion energy	964.328849

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	1300	1062	157.40	25.21	0.48	0.64
2	A₁	616	503	22.90	6.20	0.03	0.06
3	A₁	320	262	0.56	13.19	0.18	0.31
4	A₁	133	109	0.26	5.08	0.54	0.70
5	A₂	280	228	0.00	1.74	0.75	0.86
6	B₁	876	715	336.98	18.72	0.75	0.86
7	B₁	320	261	0.66	4.79	0.75	0.86
8	B₂	1426	1165	83.05	0.64	0.75	0.86
9	B₂	350	286	6.50	2.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.857
F2	0.000	1.098	1.678
F3	0.000	-1.098	1.678
I4	1.834	0.000	-0.333
I5	-1.834	0.000	-0.333

	C1	F2	F3	I4	I5
C1		1.3703	1.3703	2.1869	2.1869
F2	1.3703		2.1953	2.9349	2.9349
F3	1.3703	2.1953		2.9349	2.9349
I4	2.1869	2.9349	2.9349		3.6687
I5	2.1869	2.9349	2.9349	3.6687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	106.451	F2	C1	I4	109.023
F2	C1	I5	109.023	F3	C1	I4	109.023
F3	C1	I5	109.023	I4	C1	I5	114.027

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: HF/STO-3G

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	0.142
2	F	-0.118
3	F	-0.118
4	I	0.048
5	I	0.048

	x	y	z	Total
	0.000	0.000	0.279	0.279
CHELPG
AIM
ESP

<r²>	487.434
(<r²>)^1/2	22.078

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)