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	hartrees
Energy at 0K	-1196.205861
Energy at 298.15K	-1196.206466
HF Energy	-1196.205861
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1832	1754	171.00
2	A₁	1050	1005	186.95
3	A₁	631	604	3.46
4	A₁	438	419	0.71
5	A₁	259	248	0.15
6	A₂	154	148	0.00
7	B₁	617	591	6.29
8	B₁	331	317	0.02
9	B₂	1339	1282	150.41
10	B₂	994	952	130.29
11	B₂	459	440	0.41
12	B₂	182	174	2.26

Atom	y (Å)	z (Å)
C1	0.000	1.098
C2	0.000	-0.233
F3	1.087	1.837
F4	-1.087	1.837
Cl5	1.476	-1.126
Cl6	-1.476	-1.126

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3310	1.3143	1.3143	2.6689	2.6689
C2	1.3310		2.3381	2.3381	1.7247	1.7247
F3	1.3143	2.3381		2.1736	2.9883	3.9172
F4	1.3143	2.3381	2.1736		3.9172	2.9883
Cl5	2.6689	1.7247	2.9883	3.9172		2.9512
Cl6	2.6689	1.7247	3.9172	2.9883	2.9512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.176	C1	C2	Cl6	121.176
C2	C1	F3	124.218	C2	C1	F4	124.218
F3	C1	F4	111.565	Cl5	C2	Cl6	117.649

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	1.641
2	C	-0.665
3	F	-0.363
4	F	-0.363
5	Cl	-0.125
6	Cl	-0.125

	x	y	z	Total
	0.000	0.000	0.021	0.021
CHELPG
AIM
ESP

<r²>	235.331
(<r²>)^1/2	15.341

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)