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	hartrees
Energy at 0K	-1196.210169
Energy at 298.15K	-1196.210779
HF Energy	-1196.210169
Nuclear repulsion energy	354.023085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1794	1725	176.90
2	A₁	1055	1014	184.15
3	A₁	638	613	3.38
4	A₁	440	423	0.48
5	A₁	258	248	0.11
6	A₂	155	149	0.00
7	B₁	609	586	5.54
8	B₁	331	318	0.01
9	B₂	1346	1294	147.02
10	B₂	981	943	134.72
11	B₂	461	443	0.73
12	B₂	187	179	2.14

Atom	y (Å)	z (Å)
C1	0.000	1.092
C2	0.000	-0.236
F3	1.084	1.827
F4	-1.084	1.827
Cl5	1.470	-1.118
Cl6	-1.470	-1.118

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3285	1.3092	1.3092	2.6546	2.6546
C2	1.3285		2.3305	2.3305	1.7141	1.7141
F3	1.3092	2.3305		2.1672	2.9707	3.8980
F4	1.3092	2.3305	2.1672		3.8980	2.9707
Cl5	2.6546	1.7141	2.9707	3.8980		2.9392
Cl6	2.6546	1.7141	3.8980	2.9707	2.9392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.978	C1	C2	Cl6	120.978
C2	C1	F3	124.140	C2	C1	F4	124.140
F3	C1	F4	111.719	Cl5	C2	Cl6	118.044

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3PW91/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	-0.125
3	F	-0.105
4	F	-0.105
5	Cl	-0.037
6	Cl	-0.037

	x	y	z	Total
	0.000	0.000	0.123	0.123
CHELPG
AIM
ESP

<r²>	232.960
(<r²>)^1/2	15.263

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)