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	hartrees
Energy at 0K	-13938.826029
Energy at 298.15K
HF Energy	-13938.780587
Nuclear repulsion energy	945.708725

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	1179	1179	181.64	11.58	0.45	0.62
2	A₁	572	572	20.41	3.53	0.00	0.00
3	A₁	285	285	2.15	12.04	0.16	0.28
4	A₁	118	118	0.16	5.68	0.54	0.70
5	A₂	251	251	0.00	1.98	0.75	0.86
6	B₁	735	735	329.10	12.00	0.75	0.86
7	B₁	284	284	1.35	6.42	0.75	0.86
8	B₂	1299	1299	107.92	0.01	0.75	0.86
9	B₂	323	323	4.77	2.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.901
F2	0.000	1.115	1.720
F3	0.000	-1.115	1.720
I4	1.866	0.000	-0.343
I5	-1.866	0.000	-0.343

	C1	F2	F3	I4	I5
C1		1.3835	1.3835	2.2431	2.2431
F2	1.3835		2.2308	2.9972	2.9972
F3	1.3835	2.2308		2.9972	2.9972
I4	2.2431	2.9972	2.9972		3.7323
I5	2.2431	2.9972	2.9972	3.7323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	107.457	F2	C1	I4	109.163
F2	C1	I5	109.163	F3	C1	I4	109.163
F3	C1	I5	109.163	I4	C1	I5	112.599

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: B2PLYP/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	0.103
2	F	-0.059
3	F	-0.059
4	I	0.007
5	I	0.007

	x	y	z	Total
	0.000	0.000	0.935	0.935
CHELPG
AIM
ESP

<r²>	503.947
(<r²>)^1/2	22.449

All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)