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	hartrees
Energy at 0K	-1195.957279
Energy at 298.15K	-1195.957813
HF Energy	-1195.957279
Nuclear repulsion energy	346.039572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1865	1865	117.61
2	A₁	1039	1039	138.53
3	A₁	604	604	5.05
4	A₁	417	417	1.41
5	A₁	247	247	0.05
6	A₂	160	160	0.00
7	B₁	631	631	16.41
8	B₁	328	328	0.53
9	B₂	1359	1359	97.57
10	B₂	959	959	113.77
11	B₂	455	455	1.03
12	B₂	184	184	4.12

Atom	y (Å)	z (Å)
C1	0.000	1.101
C2	0.000	-0.221
F3	1.118	1.858
F4	-1.118	1.858
Cl5	1.510	-1.139
Cl6	-1.510	-1.139

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3217	1.3503	1.3503	2.7009	2.7009
C2	1.3217		2.3603	2.3603	1.7669	1.7669
F3	1.3503	2.3603		2.2363	3.0219	3.9856
F4	1.3503	2.3603	2.2363		3.9856	3.0219
Cl5	2.7009	1.7669	3.0219	3.9856		3.0198
Cl6	2.7009	1.7669	3.9856	3.0219	3.0198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.293	C1	C2	Cl6	121.293
C2	C1	F3	124.098	C2	C1	F4	124.098
F3	C1	F4	111.805	Cl5	C2	Cl6	117.415

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: M06-2X/6-31G

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	0.725
2	C	-0.586
3	F	-0.274
4	F	-0.274
5	Cl	0.205
6	Cl	0.205

	x	y	z	Total
	0.000	0.000	-0.297	0.297
CHELPG
AIM
ESP

<r²>	243.123
(<r²>)^1/2	15.592

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)