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	hartrees
Energy at 0K	-832.022632
Energy at 298.15K
HF Energy	-830.132129
Nuclear repulsion energy	397.089599

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	1091	1091	267.45	17.14	0.32	0.48
2	A₁	611	611	4.99	3.42	0.00	0.00
3	A₁	290	290	0.00	11.02	0.12	0.21
4	A₁	118	118	0.16	2.47	0.43	0.60
5	A₂	257	257	0.00	0.59	0.75	0.86
6	B₁	776	776	323.50	9.01	0.75	0.86
7	B₁	288	288	0.11	3.22	0.75	0.86
8	B₂	1145	1145	139.97	0.78	0.75	0.86
9	B₂	322	322	0.21	0.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.852
F2	0.000	1.078	1.643
F3	0.000	-1.078	1.643
I4	1.772	0.000	-0.327
I5	-1.772	0.000	-0.327

	C1	F2	F3	I4	I5
C1		1.3364	1.3364	2.1284	2.1284
F2	1.3364		2.1551	2.8602	2.8602
F3	1.3364	2.1551		2.8602	2.8602
I4	2.1284	2.8602	2.8602		3.5435
I5	2.1284	2.8602	2.8602	3.5435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	107.472	F2	C1	I4	109.134
F2	C1	I5	109.134	F3	C1	I4	109.134
F3	C1	I5	109.134	I4	C1	I5	112.695

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: MP2=FULL/Def2TZVPP

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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)