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	hartrees
Energy at 0K	-1195.697881
Energy at 298.15K	-1195.698350
HF Energy	-1195.697881
Nuclear repulsion energy	350.665245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1726	1710	153.25
2	A₁	1009	1000	180.74
3	A₁	612	607	3.03
4	A₁	424	420	0.21
5	A₁	258	255	0.27
6	A₂	147	145	0.00
7	B₁	564	559	8.36
8	B₁	317	314	0.59
9	B₂	1286	1275	149.12
10	B₂	928	919	167.22
11	B₂	442	438	1.58
12	B₂	179	178	2.36

Atom	y (Å)	z (Å)
C1	0.000	1.105
C2	0.000	-0.238
F3	1.098	1.844
F4	-1.098	1.844
Cl5	1.481	-1.129
Cl6	-1.481	-1.129

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3422	1.3237	1.3237	2.6802	2.6802
C2	1.3422		2.3534	2.3534	1.7289	1.7289
F3	1.3237	2.3534		2.1959	2.9977	3.9360
F4	1.3237	2.3534	2.1959		3.9360	2.9977
Cl5	2.6802	1.7289	2.9977	3.9360		2.9628
Cl6	2.6802	1.7289	3.9360	2.9977	2.9628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.037	C1	C2	Cl6	121.037
C2	C1	F3	123.957	C2	C1	F4	123.957
F3	C1	F4	112.085	Cl5	C2	Cl6	117.926

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBE/6-311G**

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	0.535
2	C	-0.404
3	F	-0.125
4	F	-0.125
5	Cl	0.060
6	Cl	0.060

	x	y	z	Total
	0.000	0.000	0.303	0.303
CHELPG
AIM
ESP

<r²>	237.254
(<r²>)^1/2	15.403

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)