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	hartrees
Energy at 0K	-1196.325037
Energy at 298.15K	-1196.325535
HF Energy	-1196.325037
Nuclear repulsion energy	350.936067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1781	1723	148.85
2	A₁	1019	986	180.98
3	A₁	613	593	3.18
4	A₁	426	412	0.76
5	A₁	252	244	0.14
6	A₂	152	147	0.00
7	B₁	569	550	4.80
8	B₁	320	310	0.00
9	B₂	1293	1251	146.42
10	B₂	962	930	142.27
11	B₂	449	434	0.51
12	B₂	176	170	2.19

Atom	y (Å)	z (Å)
C1	0.000	1.099
C2	0.000	-0.238
F3	1.096	1.844
F4	-1.096	1.844
Cl5	1.480	-1.128
Cl6	-1.480	-1.128

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3372	1.3250	1.3250	2.6746	2.6746
C2	1.3372		2.3530	2.3530	1.7273	1.7273
F3	1.3250	2.3530		2.1913	2.9976	3.9335
F4	1.3250	2.3530	2.1913		3.9335	2.9976
Cl5	2.6746	1.7273	2.9976	3.9335		2.9601
Cl6	2.6746	1.7273	3.9335	2.9976	2.9601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.034	C1	C2	Cl6	121.034
C2	C1	F3	124.221	C2	C1	F4	124.221
F3	C1	F4	111.558	Cl5	C2	Cl6	117.932

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: TPSSh/aug-cc-pVDZ

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	1.649
2	C	-0.534
3	F	-0.376
4	F	-0.376
5	Cl	-0.182
6	Cl	-0.182

	x	y	z	Total
	0.000	0.000	-0.061	0.061
CHELPG
AIM
ESP

<r²>	236.832
(<r²>)^1/2	15.389

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)