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	hartrees
Energy at 0K	-1195.749241
Energy at 298.15K	-1195.749705
HF Energy	-1195.749241
Nuclear repulsion energy	351.356555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1721	1709	147.82
2	A₁	1012	1005	168.88
3	A₁	613	609	2.95
4	A₁	425	422	0.42
5	A₁	250	249	0.12
6	A₂	147	146	0.00
7	B₁	559	555	3.73
8	B₁	315	313	0.10
9	B₂	1280	1271	139.88
10	B₂	936	929	143.49
11	B₂	442	439	0.90
12	B₂	180	179	1.97

Atom	y (Å)	z (Å)
C1	0.000	1.099
C2	0.000	-0.241
F3	1.096	1.841
F4	-1.096	1.841
Cl5	1.479	-1.126
Cl6	-1.479	-1.126

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3403	1.3232	1.3232	2.6719	2.6719
C2	1.3403		2.3525	2.3525	1.7234	1.7234
F3	1.3232	2.3525		2.1922	2.9911	3.9282
F4	1.3232	2.3525	2.1922		3.9282	2.9911
Cl5	2.6719	1.7234	2.9911	3.9282		2.9577
Cl6	2.6719	1.7234	3.9282	2.9911	2.9577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.897	C1	C2	Cl6	120.897
C2	C1	F3	124.068	C2	C1	F4	124.068
F3	C1	F4	111.864	Cl5	C2	Cl6	118.206

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/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	0.356
2	C	-0.125
3	F	-0.086
4	F	-0.086
5	Cl	-0.030
6	Cl	-0.030

	x	y	z	Total
	0.000	0.000	0.113	0.113
CHELPG
AIM
ESP

<r²>	236.013
(<r²>)^1/2	15.363

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)