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	hartrees
Energy at 0K	-1196.313561
Energy at 298.15K	-1196.314210
HF Energy	-1196.313561
Nuclear repulsion energy	354.180707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1819	1740	190.06
2	A₁	1064	1018	201.73
3	A₁	643	616	3.42
4	A₁	444	425	0.33
5	A₁	267	255	0.29
6	A₂	156	150	0.00
7	B₁	623	597	12.06
8	B₁	337	322	0.25
9	B₂	1368	1309	160.68
10	B₂	993	950	151.37
11	B₂	465	445	1.08
12	B₂	186	178	2.60

Atom	y (Å)	z (Å)
C1	0.000	1.095
C2	0.000	-0.233
F3	1.083	1.826
F4	-1.083	1.826
Cl5	1.469	-1.119
Cl6	-1.469	-1.119

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3276	1.3065	1.3065	2.6563	2.6563
C2	1.3276		2.3261	2.3261	1.7152	1.7152
F3	1.3065	2.3261		2.1653	2.9697	3.8962
F4	1.3065	2.3261	2.1653		3.8962	2.9697
Cl5	2.6563	1.7152	2.9697	3.8962		2.9377
Cl6	2.6563	1.7152	3.8962	2.9697	2.9377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.089	C1	C2	Cl6	121.089
C2	C1	F3	124.035	C2	C1	F4	124.035
F3	C1	F4	111.931	Cl5	C2	Cl6	117.821

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: mPW1PW91/6-311G**

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	0.605
2	C	-0.410
3	F	-0.154
4	F	-0.154
5	Cl	0.056
6	Cl	0.056

	x	y	z	Total
	0.000	0.000	0.264	0.264
CHELPG
AIM
ESP

<r²>	233.202
(<r²>)^1/2	15.271

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)