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	hartrees
Energy at 0K	-1196.316431
Energy at 298.15K	-1196.317040
HF Energy	-1196.316431
Nuclear repulsion energy	353.817496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1841	1769	175.19
2	A₁	1068	1027	197.23
3	A₁	641	616	3.74
4	A₁	442	425	0.44
5	A₁	257	247	0.12
6	A₂	157	151	0.00
7	B₁	616	592	9.08
8	B₁	330	317	0.10
9	B₂	1391	1337	153.83
10	B₂	1007	968	140.66
11	B₂	464	446	0.79
12	B₂	177	170	2.44

Atom	y (Å)	z (Å)
C1	0.000	1.093
C2	0.000	-0.238
F3	1.084	1.825
F4	-1.084	1.825
Cl5	1.473	-1.117
Cl6	-1.473	-1.117

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3312	1.3083	1.3083	2.6565	2.6565
C2	1.3312		2.3309	2.3309	1.7158	1.7158
F3	1.3083	2.3309		2.1684	2.9683	3.8988
F4	1.3083	2.3309	2.1684		3.8988	2.9683
Cl5	2.6565	1.7158	2.9683	3.8988		2.9468
Cl6	2.6565	1.7158	3.8988	2.9683	2.9468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.825	C1	C2	Cl6	120.825
C2	C1	F3	124.034	C2	C1	F4	124.034
F3	C1	F4	111.933	Cl5	C2	Cl6	118.350

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B1B95/cc-pVDZ

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	0.470
2	C	-0.292
3	F	-0.112
4	F	-0.112
5	Cl	0.023
6	Cl	0.023

	x	y	z	Total
	0.000	0.000	0.186	0.186
CHELPG
AIM
ESP

<r²>	232.970
(<r²>)^1/2	15.263

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)