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	hartrees
Energy at 0K	-1196.395946
Energy at 298.15K	-1196.396506
HF Energy	-1196.395946
Nuclear repulsion energy	351.302305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1780	1718	167.19
2	A₁	1033	998	199.49
3	A₁	626	604	3.69
4	A₁	431	416	0.26
5	A₁	259	250	0.15
6	A₂	153	147	0.00
7	B₁	593	573	8.11
8	B₁	325	314	0.04
9	B₂	1311	1265	159.23
10	B₂	947	914	149.30
11	B₂	455	439	1.52
12	B₂	190	183	2.64

Atom	y (Å)	z (Å)
C1	0.000	1.098
C2	0.000	-0.230
F3	1.089	1.838
F4	-1.089	1.838
Cl5	1.485	-1.126
Cl6	-1.485	-1.126

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3275	1.3172	1.3172	2.6745	2.6745
C2	1.3275		2.3373	2.3373	1.7350	1.7350
F3	1.3172	2.3373		2.1789	2.9909	3.9266
F4	1.3172	2.3373	2.1789		3.9266	2.9909
Cl5	2.6745	1.7350	2.9909	3.9266		2.9707
Cl6	2.6745	1.7350	3.9266	2.9909	2.9707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.119	C1	C2	Cl6	121.119
C2	C1	F3	124.201	C2	C1	F4	124.201
F3	C1	F4	111.599	Cl5	C2	Cl6	117.762

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYP/TZVP

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	0.461
2	C	-0.198
3	F	-0.139
4	F	-0.139
5	Cl	0.008
6	Cl	0.008

	x	y	z	Total
	0.000	0.000	-0.102	0.102
CHELPG
AIM
ESP

<r²>	236.726
(<r²>)^1/2	15.386

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)