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	hartrees
Energy at 0K	-1182.362784
Energy at 298.15K	-1182.362778
HF Energy	-1182.362784
Nuclear repulsion energy	339.642152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1773	1582	59.58
2	A₁	1078	962	73.65
3	A₁	596	532	8.49
4	A₁	408	364	0.19
5	A₁	230	205	0.99
6	A₂	144	129	0.00
7	B₁	529	472	6.53
8	B₁	277	247	0.06
9	B₂	1446	1291	29.19
10	B₂	1049	936	114.71
11	B₂	440	393	0.59
12	B₂	150	134	1.33

Atom	y (Å)	z (Å)
C1	0.000	1.136
C2	0.000	-0.235
F3	1.141	1.887
F4	-1.141	1.887
Cl5	1.541	-1.158
Cl6	-1.541	-1.158

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3708	1.3656	1.3656	2.7637	2.7637
C2	1.3708		2.4090	2.4090	1.7967	1.7967
F3	1.3656	2.4090		2.2812	3.0713	4.0577
F4	1.3656	2.4090	2.2812		4.0577	3.0713
Cl5	2.7637	1.7967	3.0713	4.0577		3.0828
Cl6	2.7637	1.7967	4.0577	3.0713	3.0828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.918	C1	C2	Cl6	120.918
C2	C1	F3	123.364	C2	C1	F4	123.364
F3	C1	F4	113.273	Cl5	C2	Cl6	118.164

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYP/STO-3G

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	0.207
2	C	-0.015
3	F	-0.028
4	F	-0.028
5	Cl	-0.068
6	Cl	-0.068

	x	y	z	Total
	0.000	0.000	1.964	1.964
CHELPG
AIM
ESP

<r²>	248.351
(<r²>)^1/2	15.759

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)