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	hartrees
Energy at 0K	-1195.823329
Energy at 298.15K	-1195.823960
HF Energy	-1195.823329
Nuclear repulsion energy	354.898798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1810	1741	180.00
2	A₁	1066	1025	179.04
3	A₁	643	618	3.30
4	A₁	444	427	0.71
5	A₁	259	249	0.14
6	A₂	156	150	0.00
7	B₁	614	590	5.52
8	B₁	330	318	0.00
9	B₂	1359	1306	150.56
10	B₂	1000	961	128.04
11	B₂	464	447	0.43
12	B₂	185	178	2.08

Atom	y (Å)	z (Å)
C1	0.000	1.090
C2	0.000	-0.237
F3	1.081	1.823
F4	-1.081	1.823
Cl5	1.466	-1.116
Cl6	-1.466	-1.116

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3268	1.3060	1.3060	2.6480	2.6480
C2	1.3268		2.3262	2.3262	1.7090	1.7090
F3	1.3060	2.3262		2.1616	2.9635	3.8884
F4	1.3060	2.3262	2.1616		3.8884	2.9635
Cl5	2.6480	1.7090	2.9635	3.8884		2.9318
Cl6	2.6480	1.7090	3.8884	2.9635	2.9318

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.934	C1	C2	Cl6	120.934
C2	C1	F3	124.149	C2	C1	F4	124.149
F3	C1	F4	111.702	Cl5	C2	Cl6	118.132

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBE1PBE/aug-cc-pVTZ

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	0.567
2	C	0.104
3	F	-0.205
4	F	-0.205
5	Cl	-0.130
6	Cl	-0.130

	x	y	z	Total
	0.000	0.000	0.044	0.044
CHELPG
AIM
ESP

<r²>	232.197
(<r²>)^1/2	15.238

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)