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	hartrees
Energy at 0K	-1195.840125
Energy at 298.15K	-1195.840719
HF Energy	-1195.527589
Nuclear repulsion energy	352.500126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1791	1791	177.55
2	A₁	1045	1045	190.44
3	A₁	633	633	3.22
4	A₁	438	438	0.38
5	A₁	265	265	0.29
6	A₂	156	156	0.00
7	B₁	605	605	11.13
8	B₁	329	329	0.15
9	B₂	1343	1343	151.02
10	B₂	982	982	142.26
11	B₂	461	461	0.98
12	B₂	188	188	2.70

Atom	y (Å)	z (Å)
C1	0.000	1.098
C2	0.000	-0.234
F3	1.088	1.833
F4	-1.088	1.833
Cl5	1.477	-1.123
Cl6	-1.477	-1.123

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3317	1.3134	1.3134	2.6674	2.6674
C2	1.3317		2.3361	2.3361	1.7242	1.7242
F3	1.3134	2.3361		2.1762	2.9821	3.9143
F4	1.3134	2.3361	2.1762		3.9143	2.9821
Cl5	2.6674	1.7242	2.9821	3.9143		2.9541
Cl6	2.6674	1.7242	3.9143	2.9821	2.9541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.055	C1	C2	Cl6	121.055
C2	C1	F3	124.057	C2	C1	F4	124.057
F3	C1	F4	111.887	Cl5	C2	Cl6	117.890

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP/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	0.590
2	C	-0.363
3	F	-0.161
4	F	-0.161
5	Cl	0.047
6	Cl	0.047

	x	y	z	Total
	0.000	0.000	0.216	0.216
CHELPG
AIM
ESP

<r²>	235.425
(<r²>)^1/2	15.344

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)