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	hartrees
Energy at 0K	-1195.586529
Energy at 298.15K	-1195.586999
HF Energy	-1195.586529
Nuclear repulsion energy	351.820795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1734	1717	143.94
2	A₁	1032	1021	147.13
3	A₁	618	612	3.58
4	A₁	427	423	0.32
5	A₁	250	248	0.05
6	A₂	149	147	0.00
7	B₁	573	567	4.23
8	B₁	312	309	0.02
9	B₂	1327	1313	121.14
10	B₂	947	937	138.01
11	B₂	446	442	1.03
12	B₂	177	175	2.03

Atom	y (Å)	z (Å)
C1	0.000	1.102
C2	0.000	-0.242
F3	1.092	1.836
F4	-1.092	1.836
Cl5	1.480	-1.124
Cl6	-1.480	-1.124

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3438	1.3158	1.3158	2.6731	2.6731
C2	1.3438		2.3470	2.3470	1.7231	1.7231
F3	1.3158	2.3470		2.1849	2.9845	3.9212
F4	1.3158	2.3470	2.1849		3.9212	2.9845
Cl5	2.6731	1.7231	2.9845	3.9212		2.9606
Cl6	2.6731	1.7231	3.9212	2.9845	2.9606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.787	C1	C2	Cl6	120.787
C2	C1	F3	123.876	C2	C1	F4	123.876
F3	C1	F4	112.247	Cl5	C2	Cl6	118.426

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.287
2	C	-0.158
3	F	0.005
4	F	0.005
5	Cl	-0.070
6	Cl	-0.070

	x	y	z	Total
	0.000	0.000	0.484	0.484
CHELPG
AIM
ESP

<r²>	235.109
(<r²>)^1/2	15.333

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)