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	hartrees
Energy at 0K	-1196.395921
Energy at 298.15K	-1196.396480
HF Energy	-1196.395921
Nuclear repulsion energy	351.293938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1780	1715	167.24
2	A₁	1033	995	199.52
3	A₁	626	603	3.66
4	A₁	432	416	0.27
5	A₁	259	249	0.15
6	A₂	152	146	0.00
7	B₁	593	571	8.13
8	B₁	324	313	0.04
9	B₂	1310	1262	159.26
10	B₂	949	914	149.41
11	B₂	454	438	1.47
12	B₂	189	182	2.61

Atom	y (Å)	z (Å)
C1	0.000	1.098
C2	0.000	-0.230
F3	1.089	1.838
F4	-1.089	1.838
Cl5	1.485	-1.126
Cl6	-1.485	-1.126

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3274	1.3172	1.3172	2.6747	2.6747
C2	1.3274		2.3373	2.3373	1.7351	1.7351
F3	1.3172	2.3373		2.1788	2.9911	3.9267
F4	1.3172	2.3373	2.1788		3.9267	2.9911
Cl5	2.6747	1.7351	2.9911	3.9267		2.9707
Cl6	2.6747	1.7351	3.9267	2.9911	2.9707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.125	C1	C2	Cl6	121.125
C2	C1	F3	124.202	C2	C1	F4	124.202
F3	C1	F4	111.595	Cl5	C2	Cl6	117.750

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3LYPultrafine/TZVP

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	0.461
2	C	-0.198
3	F	-0.139
4	F	-0.139
5	Cl	0.008
6	Cl	0.008

	x	y	z	Total
	0.000	0.000	-0.102	0.102
CHELPG
AIM
ESP

<r²>	236.740
(<r²>)^1/2	15.386

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)