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	hartrees
Energy at 0K	-1196.159757
Energy at 298.15K	-1196.160126
HF Energy	-1196.159757
Nuclear repulsion energy	347.656040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1713	1700	130.80
2	A₁	999	991	156.84
3	A₁	596	591	3.79
4	A₁	412	409	0.12
5	A₁	251	249	0.04
6	A₂	145	143	0.00
7	B₁	536	532	5.95
8	B₁	305	303	0.04
9	B₂	1293	1283	120.73
10	B₂	899	892	157.59
11	B₂	434	431	2.19
12	B₂	180	179	2.33

Atom	y (Å)	z (Å)
C1	0.000	1.111
C2	0.000	-0.237
F3	1.107	1.854
F4	-1.107	1.854
Cl5	1.500	-1.136
Cl6	-1.500	-1.136

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3473	1.3338	1.3338	2.7013	2.7013
C2	1.3473		2.3661	2.3661	1.7491	1.7491
F3	1.3338	2.3661		2.2145	3.0158	3.9673
F4	1.3338	2.3661	2.2145		3.9673	3.0158
Cl5	2.7013	1.7491	3.0158	3.9673		3.0006
Cl6	2.7013	1.7491	3.9673	3.0158	3.0006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.932	C1	C2	Cl6	120.932
C2	C1	F3	123.887	C2	C1	F4	123.887
F3	C1	F4	112.226	Cl5	C2	Cl6	118.136

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: BLYP/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	0.562
2	C	-0.302
3	F	-0.189
4	F	-0.189
5	Cl	0.059
6	Cl	0.059

	x	y	z	Total
	0.000	0.000	0.403	0.403
CHELPG
AIM
ESP

<r²>	240.221
(<r²>)^1/2	15.499

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)