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	hartrees
Energy at 0K	-303.897232
Energy at 298.15K	-303.897914
HF Energy	-303.897232
Nuclear repulsion energy	190.011458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1973	1776	160.52
2	A₁	1058	952	203.31
3	A₁	619	557	7.47
4	A₁	428	385	1.95
5	A₁	267	240	0.01
6	A₂	167	150	0.00
7	B₁	681	613	22.93
8	B₁	356	320	1.69
9	B₂	1369	1232	129.66
10	B₂	1004	904	101.23
11	B₂	478	430	0.76
12	B₂	194	174	5.53

Atom	y (Å)	z (Å)
C1	0.000	1.097
C2	0.000	-0.215
F3	1.102	1.860
F4	-1.102	1.860
Cl5	1.504	-1.140
Cl6	-1.504	-1.140

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3121	1.3407	1.3407	2.6953	2.6953
C2	1.3121		2.3499	2.3499	1.7653	1.7653
F3	1.3407	2.3499		2.2047	3.0268	3.9739
F4	1.3407	2.3499	2.2047		3.9739	3.0268
Cl5	2.6953	1.7653	3.0268	3.9739		3.0073
Cl6	2.6953	1.7653	3.9739	3.0268	3.0073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.594	C1	C2	Cl6	121.594
C2	C1	F3	124.694	C2	C1	F4	124.694
F3	C1	F4	110.611	Cl5	C2	Cl6	116.813

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: HF/LANL2DZ

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	0.802
2	C	-0.345
3	F	-0.271
4	F	-0.271
5	Cl	0.042
6	Cl	0.042

	x	y	z	Total
	0.000	0.000	-0.449	0.449
CHELPG
AIM
ESP

<r²>	170.933
(<r²>)^1/2	13.074

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)