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	hartrees
Energy at 0K	-1196.250905
Energy at 298.15K	-1196.251542
HF Energy	-1196.250905
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1828	1828	201.74
2	A₁	1063	1063	205.43
3	A₁	642	642	3.67
4	A₁	443	443	0.28
5	A₁	266	266	0.24
6	A₂	157	157	0.00
7	B₁	634	634	12.88
8	B₁	338	338	0.15
9	B₂	1365	1365	163.07
10	B₂	990	990	144.06
11	B₂	464	464	0.99
12	B₂	186	186	2.67

Atom	y (Å)	z (Å)
C1	0.000	1.097
C2	0.000	-0.230
F3	1.082	1.829
F4	-1.082	1.829
Cl5	1.473	-1.121
Cl6	-1.473	-1.121

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3265	1.3067	1.3067	2.6629	2.6629
C2	1.3265		2.3259	2.3259	1.7220	1.7220
F3	1.3067	2.3259		2.1645	2.9764	3.9033
F4	1.3067	2.3259	2.1645		3.9033	2.9764
Cl5	2.6629	1.7220	2.9764	3.9033		2.9460
Cl6	2.6629	1.7220	3.9033	2.9764	2.9460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.195	C1	C2	Cl6	121.195
C2	C1	F3	124.083	C2	C1	F4	124.083
F3	C1	F4	111.834	Cl5	C2	Cl6	117.609

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: wB97X-D/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	0.594
2	C	-0.396
3	F	-0.151
4	F	-0.151
5	Cl	0.053
6	Cl	0.053

	x	y	z	Total
	0.000	0.000	0.310	0.310
CHELPG
AIM
ESP

<r²>	234.130
(<r²>)^1/2	15.301

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)