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	hartrees
Energy at 0K	-1195.755842
Energy at 298.15K	-1195.756458
HF Energy	-1195.755842
Nuclear repulsion energy	353.245618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1831	1761	173.69
2	A₁	1065	1025	195.87
3	A₁	641	617	3.57
4	A₁	443	426	0.38
5	A₁	260	250	0.12
6	A₂	156	150	0.00
7	B₁	615	592	8.98
8	B₁	329	316	0.16
9	B₂	1384	1332	152.32
10	B₂	1002	963	141.33
11	B₂	464	446	0.86
12	B₂	182	175	2.44

Atom	y (Å)	z (Å)
C1	0.000	1.096
C2	0.000	-0.238
F3	1.085	1.829
F4	-1.085	1.829
Cl5	1.475	-1.120
Cl6	-1.475	-1.120

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3340	1.3099	1.3099	2.6618	2.6618
C2	1.3340		2.3349	2.3349	1.7185	1.7185
F3	1.3099	2.3349		2.1709	2.9746	3.9055
F4	1.3099	2.3349	2.1709		3.9055	2.9746
Cl5	2.6618	1.7185	2.9746	3.9055		2.9501
Cl6	2.6618	1.7185	3.9055	2.9746	2.9501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.869	C1	C2	Cl6	120.869
C2	C1	F3	124.040	C2	C1	F4	124.040
F3	C1	F4	111.920	Cl5	C2	Cl6	118.263

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HSEh1PBE/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	0.475
2	C	-0.299
3	F	-0.110
4	F	-0.110
5	Cl	0.022
6	Cl	0.022

	x	y	z	Total
	0.000	0.000	0.232	0.232
CHELPG
AIM
ESP

<r²>	233.746
(<r²>)^1/2	15.289

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)