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	hartrees
Energy at 0K	-1195.726082
Energy at 298.15K	-1195.726535
HF Energy	-1195.726082
Nuclear repulsion energy	350.130735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1719	1699	143.22
2	A₁	1005	994	184.33
3	A₁	611	604	3.08
4	A₁	424	419	0.27
5	A₁	254	251	0.15
6	A₂	145	144	0.00
7	B₁	549	542	6.08
8	B₁	314	311	0.33
9	B₂	1268	1254	158.39
10	B₂	929	918	161.47
11	B₂	441	436	1.41
12	B₂	184	182	2.27

Atom	y (Å)	z (Å)
C1	0.000	1.103
C2	0.000	-0.237
F3	1.099	1.845
F4	-1.099	1.845
Cl5	1.486	-1.130
Cl6	-1.486	-1.130

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3405	1.3259	1.3259	2.6821	2.6821
C2	1.3405		2.3548	2.3548	1.7334	1.7334
F3	1.3259	2.3548		2.1971	3.0004	3.9411
F4	1.3259	2.3548	2.1971		3.9411	3.0004
Cl5	2.6821	1.7334	3.0004	3.9411		2.9722
Cl6	2.6821	1.7334	3.9411	3.0004	2.9722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.982	C1	C2	Cl6	120.982
C2	C1	F3	124.052	C2	C1	F4	124.052
F3	C1	F4	111.896	Cl5	C2	Cl6	118.035

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/TZVP

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	0.396
2	C	-0.226
3	F	-0.102
4	F	-0.102
5	Cl	0.017
6	Cl	0.017

	x	y	z	Total
	0.000	0.000	-0.054	0.054
CHELPG
AIM
ESP

<r²>	237.813
(<r²>)^1/2	15.421

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)