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	hartrees
Energy at 0K	-1195.703201
Energy at 298.15K	-1195.703736
HF Energy	-1195.414549
Nuclear repulsion energy	351.584819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1794	1709	154.64
2	A₁	1037	988	185.58
3	A₁	623	593	3.19
4	A₁	435	414	0.89
5	A₁	264	251	0.21
6	A₂	152	145	0.00
7	B₁	567	540	8.02
8	B₁	320	305	0.01
9	B₂	1325	1262	158.09
10	B₂	990	943	137.00
11	B₂	455	434	0.60
12	B₂	187	178	2.65

Atom	y (Å)	z (Å)
C1	0.000	1.096
C2	0.000	-0.239
F3	1.095	1.840
F4	-1.095	1.840
Cl5	1.478	-1.125
Cl6	-1.478	-1.125

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3346	1.3242	1.3242	2.6677	2.6677
C2	1.3346		2.3497	2.3497	1.7233	1.7233
F3	1.3242	2.3497		2.1907	2.9896	3.9259
F4	1.3242	2.3497	2.1907		3.9259	2.9896
Cl5	2.6677	1.7233	2.9896	3.9259		2.9558
Cl6	2.6677	1.7233	3.9259	2.9896	2.9558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.950	C1	C2	Cl6	120.950
C2	C1	F3	124.189	C2	C1	F4	124.189
F3	C1	F4	111.621	Cl5	C2	Cl6	118.099

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP/6-31+G**

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	0.415
2	C	-0.148
3	F	-0.291
4	F	-0.291
5	Cl	0.158
6	Cl	0.158

	x	y	z	Total
	0.000	0.000	-0.173	0.173
CHELPG
AIM
ESP

<r²>	236.470
(<r²>)^1/2	15.378

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)