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	hartrees
Energy at 0K	-305.708523
Energy at 298.15K	-305.708841
HF Energy	-305.708523
Nuclear repulsion energy	186.937892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1776	1707	93.91
2	A₁	966	929	160.45
3	A₁	567	545	5.48
4	A₁	394	379	0.83
5	A₁	245	236	0.08
6	A₂	144	138	0.00
7	B₁	557	535	12.26
8	B₁	314	302	0.04
9	B₂	1220	1173	123.77
10	B₂	903	868	126.78
11	B₂	432	415	1.58
12	B₂	174	167	4.08

Atom	y (Å)	z (Å)
C1	0.000	1.112
C2	0.000	-0.226
F3	1.127	1.885
F4	-1.127	1.885
Cl5	1.523	-1.154
Cl6	-1.523	-1.154

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3385	1.3667	1.3667	2.7308	2.7308
C2	1.3385		2.3937	2.3937	1.7837	1.7837
F3	1.3667	2.3937		2.2535	3.0657	4.0329
F4	1.3667	2.3937	2.2535		4.0329	3.0657
Cl5	2.7308	1.7837	3.0657	4.0329		3.0466
Cl6	2.7308	1.7837	4.0329	3.0657	3.0466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.348	C1	C2	Cl6	121.348
C2	C1	F3	124.469	C2	C1	F4	124.469
F3	C1	F4	111.062	Cl5	C2	Cl6	117.304

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYP/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	0.567
2	C	-0.327
3	F	-0.173
4	F	-0.173
5	Cl	0.053
6	Cl	0.053

	x	y	z	Total
	0.000	0.000	-0.580	0.580
CHELPG
AIM
ESP

<r²>	174.338
(<r²>)^1/2	13.204

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)