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	hartrees
Energy at 0K	-1196.004533
Energy at 298.15K	-1196.005142
HF Energy	-1195.584515
Nuclear repulsion energy	353.483510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1791	1712	171.45
2	A₁	1049	1003	177.77
3	A₁	635	607	3.32
4	A₁	438	419	0.54
5	A₁	258	247	0.12
6	A₂	156	150	0.00
7	B₁	606	580	5.71
8	B₁	329	314	0.00
9	B₂	1342	1283	141.38
10	B₂	983	940	124.94
11	B₂	462	442	0.61
12	B₂	187	179	2.24

Atom	y (Å)	z (Å)
C1	0.000	1.092
C2	0.000	-0.236
F3	1.085	1.829
F4	-1.085	1.829
Cl5	1.473	-1.119
Cl6	-1.473	-1.119

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3279	1.3113	1.3113	2.6575	2.6575
C2	1.3279		2.3320	2.3320	1.7181	1.7181
F3	1.3113	2.3320		2.1704	2.9732	3.9033
F4	1.3113	2.3320	2.1704		3.9033	2.9732
Cl5	2.6575	1.7181	2.9732	3.9033		2.9469
Cl6	2.6575	1.7181	3.9033	2.9732	2.9469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.951	C1	C2	Cl6	120.951
C2	C1	F3	124.152	C2	C1	F4	124.152
F3	C1	F4	111.695	Cl5	C2	Cl6	118.098

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)