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	hartrees
Energy at 0K	-1195.682376
Energy at 298.15K	-1195.682938
HF Energy	-1195.399951
Nuclear repulsion energy	352.052086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1809	1717	153.32
2	A₁	1057	1004	168.10
3	A₁	629	597	3.45
4	A₁	437	415	0.50
5	A₁	264	250	0.07
6	A₂	156	148	0.00
7	B₁	586	556	9.55
8	B₁	327	310	0.00
9	B₂	1379	1309	129.48
10	B₂	997	946	132.48
11	B₂	462	438	0.87
12	B₂	189	179	2.52

Atom	y (Å)	z (Å)
C1	0.000	1.097
C2	0.000	-0.237
F3	1.094	1.833
F4	-1.094	1.833
Cl5	1.480	-1.122
Cl6	-1.480	-1.122

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3341	1.3185	1.3185	2.6671	2.6671
C2	1.3341		2.3417	2.3417	1.7240	1.7240
F3	1.3185	2.3417		2.1874	2.9806	3.9187
F4	1.3185	2.3417	2.1874		3.9187	2.9806
Cl5	2.6671	1.7240	2.9806	3.9187		2.9590
Cl6	2.6671	1.7240	3.9187	2.9806	2.9590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.886	C1	C2	Cl6	120.886
C2	C1	F3	123.953	C2	C1	F4	123.953
F3	C1	F4	112.094	Cl5	C2	Cl6	118.228

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP/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	0.654
2	C	-0.345
3	F	-0.226
4	F	-0.226
5	Cl	0.072
6	Cl	0.072

	x	y	z	Total
	0.000	0.000	0.324	0.324
CHELPG
AIM
ESP

<r²>	235.186
(<r²>)^1/2	15.336

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)