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	hartrees
Energy at 0K	-1196.147456
Energy at 298.15K	-1196.148103
HF Energy	-1196.147456
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1835	1835	188.72
2	A₁	1084	1084	167.43
3	A₁	647	647	4.11
4	A₁	446	446	0.37
5	A₁	259	259	0.04
6	A₂	158	158	0.00
7	B₁	645	645	7.54
8	B₁	333	333	0.02
9	B₂	1402	1402	131.65
10	B₂	1005	1005	120.64
11	B₂	468	468	0.68
12	B₂	184	184	2.32

Atom	y (Å)	z (Å)
C1	0.000	1.095
C2	0.000	-0.233
F3	1.077	1.823
F4	-1.077	1.823
Cl5	1.472	-1.117
Cl6	-1.472	-1.117

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3277	1.3000	1.3000	2.6570	2.6570
C2	1.3277		2.3205	2.3205	1.7171	1.7171
F3	1.3000	2.3205		2.1546	2.9660	3.8910
F4	1.3000	2.3205	2.1546		3.8910	2.9660
Cl5	2.6570	1.7171	2.9660	3.8910		2.9437
Cl6	2.6570	1.7171	3.8910	2.9660	2.9437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.998	C1	C2	Cl6	120.998
C2	C1	F3	124.033	C2	C1	F4	124.033
F3	C1	F4	111.934	Cl5	C2	Cl6	118.004

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: wB97X-D/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	0.404
2	C	-0.185
3	F	-0.040
4	F	-0.040
5	Cl	-0.070
6	Cl	-0.070

	x	y	z	Total
	0.000	0.000	0.485	0.485
CHELPG
AIM
ESP

<r²>	232.266
(<r²>)^1/2	15.240

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)