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	hartrees
Energy at 0K	-1195.561333
Energy at 298.15K	-1195.561776
HF Energy	-1195.561333
Nuclear repulsion energy	350.262645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1740	1716	134.83
2	A₁	1025	1011	156.50
3	A₁	611	603	3.47
4	A₁	424	418	0.24
5	A₁	256	252	0.06
6	A₂	147	145	0.00
7	B₁	549	541	6.47
8	B₁	314	310	0.18
9	B₂	1332	1314	127.31
10	B₂	943	930	156.60
11	B₂	443	437	1.41
12	B₂	180	178	2.12

Atom	y (Å)	z (Å)
C1	0.000	1.106
C2	0.000	-0.241
F3	1.102	1.843
F4	-1.102	1.843
Cl5	1.485	-1.128
Cl6	-1.485	-1.128

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3468	1.3256	1.3256	2.6823	2.6823
C2	1.3468		2.3573	2.3573	1.7298	1.7298
F3	1.3256	2.3573		2.2035	2.9954	3.9392
F4	1.3256	2.3573	2.2035		3.9392	2.9954
Cl5	2.6823	1.7298	2.9954	3.9392		2.9703
Cl6	2.6823	1.7298	3.9392	2.9954	2.9703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.841	C1	C2	Cl6	120.841
C2	C1	F3	123.785	C2	C1	F4	123.785
F3	C1	F4	112.430	Cl5	C2	Cl6	118.317

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBE/6-31G**

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	0.575
2	C	-0.378
3	F	-0.183
4	F	-0.183
5	Cl	0.084
6	Cl	0.084

	x	y	z	Total
	0.000	0.000	0.472	0.472
CHELPG
AIM
ESP

<r²>	236.936
(<r²>)^1/2	15.393

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)