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	hartrees
Energy at 0K	-1195.576406
Energy at 298.15K	-1195.576901
HF Energy	-1195.576406
Nuclear repulsion energy	345.578335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1759	105.09
2	A₁	1019	975	143.28
3	A₁	596	570	5.43
4	A₁	413	395	0.89
5	A₁	254	243	0.06
6	A₂	150	144	0.00
7	B₁	606	580	14.07
8	B₁	333	318	0.22
9	B₂	1327	1269	102.20
10	B₂	947	905	135.68
11	B₂	450	430	1.50
12	B₂	182	174	3.74

Atom	y (Å)	z (Å)
C1	0.000	1.105
C2	0.000	-0.222
F3	1.119	1.862
F4	-1.119	1.862
Cl5	1.509	-1.142
Cl6	-1.509	-1.142

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3269	1.3518	1.3518	2.7064	2.7064
C2	1.3269		2.3662	2.3662	1.7674	1.7674
F3	1.3518	2.3662		2.2390	3.0295	3.9920
F4	1.3518	2.3662	2.2390		3.9920	3.0295
Cl5	2.7064	1.7674	3.0295	3.9920		3.0185
Cl6	2.7064	1.7674	3.9920	3.0295	3.0185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.356	C1	C2	Cl6	121.356
C2	C1	F3	124.093	C2	C1	F4	124.093
F3	C1	F4	111.814	Cl5	C2	Cl6	117.288

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HSEh1PBE/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	0.705
2	C	-0.600
3	F	-0.258
4	F	-0.258
5	Cl	0.205
6	Cl	0.205

	x	y	z	Total
	0.000	0.000	-0.193	0.193
CHELPG
AIM
ESP

<r²>	243.522
(<r²>)^1/2	15.605

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)