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	hartrees
Energy at 0K	-1195.755748
Energy at 298.15K	-1195.756194
HF Energy	-1195.755748
Nuclear repulsion energy	351.294268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1716	1697	147.58
2	A₁	1007	995	167.31
3	A₁	610	604	2.87
4	A₁	424	419	0.60
5	A₁	250	247	0.15
6	A₂	146	144	0.00
7	B₁	552	546	3.85
8	B₁	312	309	0.02
9	B₂	1264	1250	147.22
10	B₂	933	923	140.55
11	B₂	441	436	0.69
12	B₂	179	177	1.93

Atom	y (Å)	z (Å)
C1	0.000	1.099
C2	0.000	-0.241
F3	1.096	1.842
F4	-1.096	1.842
Cl5	1.478	-1.126
Cl6	-1.478	-1.126

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3400	1.3245	1.3245	2.6714	2.6714
C2	1.3400		2.3541	2.3541	1.7231	1.7231
F3	1.3245	2.3541		2.1926	2.9929	3.9294
F4	1.3245	2.3541	2.1926		3.9294	2.9929
Cl5	2.6714	1.7231	2.9929	3.9294		2.9567
Cl6	2.6714	1.7231	3.9294	2.9929	2.9567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.911	C1	C2	Cl6	120.911
C2	C1	F3	124.136	C2	C1	F4	124.136
F3	C1	F4	111.727	Cl5	C2	Cl6	118.178

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/aug-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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Number	Element	Mulliken
1	C	0.551
2	C	0.060
3	F	-0.204
4	F	-0.204
5	Cl	-0.101
6	Cl	-0.101

	x	y	z	Total
	0.000	0.000	-0.020	0.020
CHELPG
AIM
ESP

<r²>	236.411
(<r²>)^1/2	15.376

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)