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	hartrees
Energy at 0K	-259.361178
Energy at 298.15K
HF Energy	-258.977041
Nuclear repulsion energy	130.436617

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	935	901	252.01	4.72	0.75	0.86
2	A₁	510	491	6.15	3.65	0.28	0.44
3	A₁	255	246	0.11	10.23	0.18	0.30
4	A₁	116	112	0.25	7.99	0.60	0.75
5	A₂	237	228	0.00	2.81	0.75	0.86
6	B₁	720	693	276.67	2.93	0.75	0.86
7	B₁	265	255	1.60	4.81	0.75	0.86
8	B₂	950	915	177.03	0.52	0.75	0.86
9	B₂	294	283	0.21	6.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.823
F2	0.000	1.142	1.698
F3	0.000	-1.142	1.698
I4	1.862	0.000	-0.335
I5	-1.862	0.000	-0.335

	C1	F2	F3	I4	I5
C1		1.4382	1.4382	2.1928	2.1928
F2	1.4382		2.2833	2.9838	2.9838
F3	1.4382	2.2833		2.9838	2.9838
I4	2.1928	2.9838	2.9838		3.7236
I5	2.1928	2.9838	2.9838	3.7236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	105.082	F2	C1	I4	108.742
F2	C1	I5	108.742	F3	C1	I4	108.742
F3	C1	I5	108.742	I4	C1	I5	116.220

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)

using model chemistry: MP2/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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All results from a given calculation for CF2I2 (difluorodiiodomethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for CF₂I₂ (difluorodiiodomethane)