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	hartrees
Energy at 0K	-1181.734963
Energy at 298.15K	-1181.735006
HF Energy	-1181.667251
Nuclear repulsion energy	340.316507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1788	1788	57.73
2	A₁	1092	1092	71.26
3	A₁	603	603	7.97
4	A₁	412	412	0.50
5	A₁	232	232	1.07
6	A₂	150	150	0.00
7	B₁	534	534	7.49
8	B₁	283	283	0.42
9	B₂	1475	1475	26.30
10	B₂	1082	1082	99.15
11	B₂	449	449	0.39
12	B₂	150	150	1.47

Atom	y (Å)	z (Å)
C1	0.000	1.134
C2	0.000	-0.236
F3	1.138	1.883
F4	-1.138	1.883
Cl5	1.539	-1.155
Cl6	-1.539	-1.155

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3697	1.3621	1.3621	2.7584	2.7584
C2	1.3697		2.4049	2.4049	1.7929	1.7929
F3	1.3621	2.4049		2.2753	3.0644	4.0492
F4	1.3621	2.4049	2.2753		4.0492	3.0644
Cl5	2.7584	1.7929	3.0644	4.0492		3.0788
Cl6	2.7584	1.7929	4.0492	3.0644	3.0788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.841	C1	C2	Cl6	120.841
C2	C1	F3	123.362	C2	C1	F4	123.362
F3	C1	F4	113.275	Cl5	C2	Cl6	118.319

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)