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	hartrees
Energy at 0K	-1189.638826
Energy at 298.15K	-1189.639185
HF Energy	-1189.638826
Nuclear repulsion energy	343.333984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1758	1742	97.93
2	A₁	1005	996	113.41
3	A₁	578	572	5.58
4	A₁	395	391	0.04
5	A₁	229	227	0.00
6	A₂	149	148	0.00
7	B₁	611	606	14.04
8	B₁	299	297	0.86
9	B₂	1326	1314	78.85
10	B₂	883	875	150.54
11	B₂	438	434	3.46
12	B₂	171	170	3.32

Atom	y (Å)	z (Å)
C1	0.000	1.108
C2	0.000	-0.225
F3	1.123	1.861
F4	-1.123	1.861
Cl5	1.536	-1.141
Cl6	-1.536	-1.141

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3335	1.3519	1.3519	2.7240	2.7240
C2	1.3335		2.3691	2.3691	1.7887	1.7887
F3	1.3519	2.3691		2.2462	3.0302	4.0105
F4	1.3519	2.3691	2.2462		4.0105	3.0302
Cl5	2.7240	1.7887	3.0302	4.0105		3.0728
Cl6	2.7240	1.7887	4.0105	3.0302	3.0728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.799	C1	C2	Cl6	120.799
C2	C1	F3	123.824	C2	C1	F4	123.824
F3	C1	F4	112.352	Cl5	C2	Cl6	118.401

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBE/3-21G

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	0.629
2	C	-0.646
3	F	-0.199
4	F	-0.199
5	Cl	0.208
6	Cl	0.208

	x	y	z	Total
	0.000	0.000	0.595	0.595
CHELPG
AIM
ESP

<r²>	246.029
(<r²>)^1/2	15.685

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)