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	hartrees
Energy at 0K	-1196.356029
Energy at 298.15K	-1196.356428
HF Energy	-1196.356029
Nuclear repulsion energy	348.777591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1695	1690	143.53
2	A₁	985	982	171.63
3	A₁	598	596	3.22
4	A₁	412	411	0.24
5	A₁	248	247	0.13
6	A₂	145	144	0.00
7	B₁	551	549	3.84
8	B₁	310	309	0.02
9	B₂	1238	1234	134.07
10	B₂	887	884	145.98
11	B₂	433	432	1.71
12	B₂	181	180	2.17

Atom	y (Å)	z (Å)
C1	0.000	1.104
C2	0.000	-0.236
F3	1.102	1.853
F4	-1.102	1.853
Cl5	1.493	-1.134
Cl6	-1.493	-1.134

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3398	1.3320	1.3320	2.6904	2.6904
C2	1.3398		2.3613	2.3613	1.7422	1.7422
F3	1.3320	2.3613		2.2033	3.0127	3.9564
F4	1.3320	2.3613	2.2033		3.9564	3.0127
Cl5	2.6904	1.7422	3.0127	3.9564		2.9852
Cl6	2.6904	1.7422	3.9564	3.0127	2.9852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.048	C1	C2	Cl6	121.048
C2	C1	F3	124.204	C2	C1	F4	124.204
F3	C1	F4	111.591	Cl5	C2	Cl6	117.904

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: BLYP/cc-pVTZ

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	0.382
2	C	-0.101
3	F	-0.109
4	F	-0.109
5	Cl	-0.032
6	Cl	-0.032

	x	y	z	Total
	0.000	0.000	0.015	0.015
CHELPG
AIM
ESP

<r²>	239.381
(<r²>)^1/2	15.472

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)