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	hartrees
Energy at 0K	-1190.021975
Energy at 298.15K	-1190.022619
HF Energy	-1190.021975
Nuclear repulsion energy	352.110318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1824	1751	122.44
2	A₁	1062	1019	123.41
3	A₁	622	597	2.94
4	A₁	432	414	0.60
5	A₁	263	252	0.18
6	A₂	162	155	0.00
7	B₁	665	638	15.84
8	B₁	346	332	0.06
9	B₂	1400	1344	92.03
10	B₂	978	939	115.95
11	B₂	473	454	1.82
12	B₂	186	178	3.36

Atom	y (Å)	z (Å)
C1	0.000	1.083
C2	0.000	-0.243
F3	1.111	1.829
F4	-1.111	1.829
Cl5	1.475	-1.117
Cl6	-1.475	-1.117

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3255	1.3383	1.3383	2.6480	2.6480
C2	1.3255		2.3511	2.3511	1.7144	1.7144
F3	1.3383	2.3511		2.2213	2.9682	3.9197
F4	1.3383	2.3511	2.2213		3.9197	2.9682
Cl5	2.6480	1.7144	2.9682	3.9197		2.9504
Cl6	2.6480	1.7144	3.9197	2.9682	2.9504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.631	C1	C2	Cl6	120.631
C2	C1	F3	123.913	C2	C1	F4	123.913
F3	C1	F4	112.173	Cl5	C2	Cl6	118.738

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HSEh1PBE/3-21G*

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	0.674
2	C	-0.450
3	F	-0.246
4	F	-0.246
5	Cl	0.134
6	Cl	0.134

	x	y	z	Total
	0.000	0.000	0.117	0.117
CHELPG
AIM
ESP

<r²>	234.808
(<r²>)^1/2	15.323

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)