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	hartrees
Energy at 0K	-1196.307595
Energy at 298.15K	-1196.307973
HF Energy	-1196.307595
Nuclear repulsion energy	347.936546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1696	1691	149.17
2	A₁	982	980	180.46
3	A₁	596	594	3.25
4	A₁	411	410	0.10
5	A₁	253	252	0.27
6	A₂	144	144	0.00
7	B₁	555	553	8.24
8	B₁	309	309	0.33
9	B₂	1244	1241	140.74
10	B₂	881	879	169.64
11	B₂	432	431	2.61
12	B₂	179	179	2.59

Atom	y (Å)	z (Å)
C1	0.000	1.110
C2	0.000	-0.233
F3	1.104	1.857
F4	-1.104	1.857
Cl5	1.496	-1.138
Cl6	-1.496	-1.138

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3426	1.3326	1.3326	2.7003	2.7003
C2	1.3426		2.3629	2.3629	1.7489	1.7489
F3	1.3326	2.3629		2.2075	3.0200	3.9657
F4	1.3326	2.3629	2.2075		3.9657	3.0200
Cl5	2.7003	1.7489	3.0200	3.9657		2.9929
Cl6	2.7003	1.7489	3.9657	3.0200	2.9929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.167	C1	C2	Cl6	121.167
C2	C1	F3	124.075	C2	C1	F4	124.075
F3	C1	F4	111.850	Cl5	C2	Cl6	117.666

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: BLYP/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	0.536
2	C	-0.360
3	F	-0.136
4	F	-0.136
5	Cl	0.048
6	Cl	0.048

	x	y	z	Total
	0.000	0.000	0.232	0.232
CHELPG
AIM
ESP

<r²>	240.811
(<r²>)^1/2	15.518

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)