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	hartrees
Energy at 0K	-1196.420799
Energy at 298.15K	-1196.421373
HF Energy	-1196.420799
Nuclear repulsion energy	352.516195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1780	1721	172.43
2	A₁	1039	1004	184.52
3	A₁	628	607	3.48
4	A₁	433	418	0.38
5	A₁	257	248	0.12
6	A₂	154	149	0.00
7	B₁	604	584	5.54
8	B₁	326	315	0.00
9	B₂	1321	1277	141.90
10	B₂	954	922	134.92
11	B₂	456	441	1.03
12	B₂	187	181	2.27

Atom	y (Å)	z (Å)
C1	0.000	1.094
C2	0.000	-0.233
F3	1.087	1.834
F4	-1.087	1.834
Cl5	1.478	-1.123
Cl6	-1.478	-1.123

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3276	1.3145	1.3145	2.6646	2.6646
C2	1.3276		2.3353	2.3353	1.7250	1.7250
F3	1.3145	2.3353		2.1739	2.9821	3.9140
F4	1.3145	2.3353	2.1739		3.9140	2.9821
Cl5	2.6646	1.7250	2.9821	3.9140		2.9560
Cl6	2.6646	1.7250	3.9140	2.9821	2.9560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.041	C1	C2	Cl6	121.041
C2	C1	F3	124.220	C2	C1	F4	124.220
F3	C1	F4	111.559	Cl5	C2	Cl6	117.918

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYPultrafine/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	0.408
2	C	-0.102
3	F	-0.116
4	F	-0.116
5	Cl	-0.037
6	Cl	-0.037

	x	y	z	Total
	0.000	0.000	0.052	0.052
CHELPG
AIM
ESP

<r²>	234.963
(<r²>)^1/2	15.329

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)