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	hartrees
Energy at 0K	-89.474415
Energy at 298.15K	-89.474915
HF Energy	-89.474415
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1834	1834	174.39
2	A₁	1052	1052	221.88
3	A₁	632	632	3.87
4	A₁	437	437	0.23
5	A₁	257	257	0.20
6	A₂	149	149	0.00
7	B₁	560	560	10.60
8	B₁	323	323	0.55
9	B₂	1361	1361	164.40
10	B₂	1005	1005	153.42
11	B₂	451	451	0.73
12	B₂	180	180	2.47

Atom	y (Å)	z (Å)
C1	0.000	1.115
C2	0.000	-0.244
F3	1.094	1.853
F4	-1.094	1.853
Cl5	1.487	-1.135
Cl6	-1.487	-1.135

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3587	1.3201	1.3201	2.6964	2.6964
C2	1.3587		2.3654	2.3654	1.7336	1.7336
F3	1.3201	2.3654		2.1885	3.0132	3.9484
F4	1.3201	2.3654	2.1885		3.9484	3.0132
Cl5	2.6964	1.7336	3.0132	3.9484		2.9749
Cl6	2.6964	1.7336	3.9484	3.0132	2.9749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.904	C1	C2	Cl6	120.904
C2	C1	F3	124.012	C2	C1	F4	124.012
F3	C1	F4	111.977	Cl5	C2	Cl6	118.193

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	0.202
2	C	-0.063
3	F	-0.071
4	F	-0.071
5	Cl	0.002
6	Cl	0.002

	x	y	z	Total
	0.000	0.000	0.116	0.116
CHELPG
AIM
ESP

<r²>	146.660
(<r²>)^1/2	12.110

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)