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	hartrees
Energy at 0K	-89.358278
Energy at 298.15K	-89.358619
HF Energy	-89.358278
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1815	1815	99.39
2	A₁	984	984	167.46
3	A₁	581	581	4.44
4	A₁	404	404	1.39
5	A₁	244	244	0.22
6	A₂	140	140	0.00
7	B₁	546	546	17.63
8	B₁	311	311	0.00
9	B₂	1267	1267	115.37
10	B₂	963	963	126.13
11	B₂	433	433	0.67
12	B₂	171	171	3.88

Atom	y (Å)	z (Å)
C1	0.000	1.125
C2	0.000	-0.233
F3	1.129	1.893
F4	-1.129	1.893
Cl5	1.522	-1.159
Cl6	-1.522	-1.159

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3582	1.3655	1.3655	2.7450	2.7450
C2	1.3582		2.4073	2.4073	1.7818	1.7818
F3	1.3655	2.4073		2.2585	3.0773	4.0430
F4	1.3655	2.4073	2.2585		4.0430	3.0773
Cl5	2.7450	1.7818	3.0773	4.0430		3.0443
Cl6	2.7450	1.7818	4.0430	3.0773	3.0443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.319	C1	C2	Cl6	121.319
C2	C1	F3	124.211	C2	C1	F4	124.211
F3	C1	F4	111.578	Cl5	C2	Cl6	117.362

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: wB97X-D/CEP-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	0.383
2	C	-0.433
3	F	-0.111
4	F	-0.111
5	Cl	0.136
6	Cl	0.136

	x	y	z	Total
	0.000	0.000	-0.544	0.544
CHELPG
AIM
ESP

<r²>	153.342
(<r²>)^1/2	12.383

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)