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	hartrees
Energy at 0K	-1195.762696
Energy at 298.15K	-1195.763348
HF Energy	-1195.762696
Nuclear repulsion energy	354.309950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1821	1747	190.20
2	A₁	1067	1023	199.82
3	A₁	644	618	3.38
4	A₁	445	427	0.34
5	A₁	267	256	0.28
6	A₂	157	150	0.00
7	B₁	623	598	11.79
8	B₁	336	323	0.27
9	B₂	1373	1318	160.39
10	B₂	997	957	150.94
11	B₂	466	447	1.02
12	B₂	186	178	2.56

Atom	y (Å)	z (Å)
C1	0.000	1.095
C2	0.000	-0.234
F3	1.083	1.825
F4	-1.083	1.825
Cl5	1.468	-1.118
Cl6	-1.468	-1.118

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3284	1.3061	1.3061	2.6555	2.6555
C2	1.3284		2.3263	2.3263	1.7139	1.7139
F3	1.3061	2.3263		2.1654	2.9683	3.8948
F4	1.3061	2.3263	2.1654		3.8948	2.9683
Cl5	2.6555	1.7139	2.9683	3.8948		2.9363
Cl6	2.6555	1.7139	3.8948	2.9683	2.9363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.061	C1	C2	Cl6	121.061
C2	C1	F3	124.007	C2	C1	F4	124.007
F3	C1	F4	111.987	Cl5	C2	Cl6	117.879

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBE1PBE/6-311G**

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	0.596
2	C	-0.410
3	F	-0.149
4	F	-0.149
5	Cl	0.056
6	Cl	0.056

	x	y	z	Total
	0.000	0.000	0.299	0.299
CHELPG
AIM
ESP

<r²>	233.085
(<r²>)^1/2	15.267

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)