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	hartrees
Energy at 0K	-1195.561340
Energy at 298.15K	-1195.561773
HF Energy	-1195.561340
Nuclear repulsion energy	350.255538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1739	1711	135.09
2	A₁	1025	1008	156.48
3	A₁	611	601	3.44
4	A₁	425	418	0.25
5	A₁	256	251	0.06
6	A₂	148	146	0.00
7	B₁	549	540	6.48
8	B₁	314	309	0.18
9	B₂	1332	1310	127.28
10	B₂	945	930	156.64
11	B₂	443	436	1.39
12	B₂	181	178	2.10

Atom	y (Å)	z (Å)
C1	0.000	1.106
C2	0.000	-0.241
F3	1.102	1.843
F4	-1.102	1.843
Cl5	1.485	-1.128
Cl6	-1.485	-1.128

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3468	1.3255	1.3255	2.6824	2.6824
C2	1.3468		2.3573	2.3573	1.7299	1.7299
F3	1.3255	2.3573		2.2031	2.9957	3.9393
F4	1.3255	2.3573	2.2031		3.9393	2.9957
Cl5	2.6824	1.7299	2.9957	3.9393		2.9704
Cl6	2.6824	1.7299	3.9393	2.9957	2.9704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.846	C1	C2	Cl6	120.846
C2	C1	F3	123.795	C2	C1	F4	123.795
F3	C1	F4	112.409	Cl5	C2	Cl6	118.308

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/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	0.575
2	C	-0.378
3	F	-0.183
4	F	-0.183
5	Cl	0.084
6	Cl	0.084

	x	y	z	Total
	0.000	0.000	0.472	0.472
CHELPG
AIM
ESP

<r²>	236.952
(<r²>)^1/2	15.393

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)